| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.3 | Very low | 50.5 | Low | 236 Ų | 236 | 159.9 Ų | 159.9 | 100% | 1.163 | 81% | 0.808 | S | S | * | * | 0 | 124.2 | 0 | -87.8 | 154.1 | 178 | 0 | 0 | 108.6 | |||||
| 2 | M | 45.6 | Very low | 50.1 | Low | 151 Ų | 151 | 158.6 Ų | 158.6 | 74% | 0.744 | 81% | 0.814 | S | S | * | * | trans | 53.1 | 83.2 | 171.3 | -63.3 | 87.6 | 122.5 | 0 | 0 | 119.9 | Y4 | M2-Y4 HydrophobicContact CB-CE2 4.33Š| ||
| 3 | S | 50.7 | Low | 50 | Low | 121 Ų | 121 | 158.5 Ų | 158.5 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | -79.3 | 115.4 | 152 | 49.3 | 0 | 0 | 0 | 0 | 109.7 | L5 | S3-L5 PolarHBondContact O-N 3.17Š| ||
| 4 | Y | 57.9 | Low | 49.3 | Very low | 209 Ų | 209 | 153 Ų | 153 | 82% | 0.82 | 82% | 0.818 | S | S | * | * | trans | -74.1 | 117.1 | 176.3 | -73.2 | -87.7 | 0 | 0 | 0 | 111 | M2 K6 | M2-Y4 HydrophobicContact CB-CE2 4.33Å; Y4-K6 PolarHBondContact O-N 3.43Å | ||
| 5 | L | 55.6 | Low | 49.3 | Very low | 146 Ų | 146 | 154 Ų | 154 | 76% | 0.764 | 82% | 0.822 | S | S | * | * | trans | -69.3 | 104.6 | 173 | -167.9 | 69.6 | 0 | 0 | 0 | 109.2 | S3 Q7 | S3-L5 PolarHBondContact O-N 3.17Å; L5-Q7 PolarHBondContact O-N 3.01Å; L5-Q7 VanDerWaalsContact O-N 3.12Å | ||
| 6 | K | 53 | Low | 49 | Very low | 206 Ų | 206 | 151.8 Ų | 151.8 | 90% | 0.896 | 82% | 0.823 | S | S | * | * | trans | -77.8 | 95.1 | 175.5 | -171.4 | 157 | 173.5 | 169.1 | 0 | 109.4 | Y4 | Y4-K6 PolarHBondContact O-N 3.43Š| ||
| 7 | Q | 45.3 | Very low | 48.9 | Very low | 131 Ų | 131 | 151.3 Ų | 151.3 | 61% | 0.612 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 135.5 | 169.1 | -69.6 | -75.6 | -13.5 | 0 | 0 | 110.5 | L5 | L5-Q7 PolarHBondContact O-N 3.01Å; L5-Q7 VanDerWaalsContact O-N 3.12Å |
| 8 | P | 48 | Very low | 48.8 | Very low | 97 Ų | 97 | 150.2 Ų | 150.2 | 63% | 0.63 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -75 | 131.2 | 166.2 | 28.9 | -29.5 | 0 | 0 | 0 | 109.9 | Y10 | P8-Y10 PolarHBondContact O-N 3.08Š|
| 9 | P | 54.9 | Low | 48.5 | Very low | 126 Ų | 126 | 148.2 Ų | 148.2 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 122.6 | 171.3 | 27.2 | -30.6 | 0 | 0 | 0 | 109.7 | ||
| 10 | Y | 45.6 | Very low | 48.4 | Very low | 209 Ų | 209 | 146.4 Ų | 146.4 | 82% | 0.82 | 81% | 0.81 | S | S | * | * | trans | -26.1 | 134.1 | 173.7 | -64.7 | -92.3 | 0 | 0 | 0 | 116.9 | P8 | P8-Y10 PolarHBondContact O-N 3.08Š| ||
| 11 | T | 49.2 | Very low | 48.5 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -57.7 | 130.9 | 151.1 | 52.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 12 | V | 45.8 | Very low | 48.7 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 87% | 0.873 | 78% | 0.779 | S | S | * | * | trans | -136.6 | 132.3 | 152.1 | 127.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 13 | N | 48.6 | Very low | 48.6 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | -60.5 | 138.8 | -170.4 | -62.1 | -20.8 | 0 | 0 | 0 | 113.3 | ||||
| 14 | G | 40.5 | Very low | 48.6 | Very low | 82 Ų | 82 | 138.6 Ų | 138.6 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | -137.5 | 41.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 15 | L | 49.3 | Very low | 48.3 | Very low | 168 Ų | 168 | 136 Ų | 136 | 88% | 0.88 | 78% | 0.776 | S | S | * | * | trans | -90 | 107.4 | 161.8 | -68.9 | 170.8 | 0 | 0 | 0 | 107.2 | ||||
| 16 | S | 44.7 | Very low | 47.8 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -117.3 | 96 | 161.2 | -173 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 17 | L | 47.2 | Very low | 47.9 | Very low | 143 Ų | 143 | 132.6 Ų | 132.6 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | -81.9 | 127.9 | 161.6 | -78.1 | 152.3 | 0 | 0 | 0 | 107.6 | ||||
| 18 | T | 46.9 | Very low | 48.2 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | 37.1 | 97.8 | 145.2 | 71.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 19 | T | 43 | Very low | 48.5 | Very low | 111 Ų | 111 | 132 Ų | 132 | 68% | 0.681 | 78% | 0.776 | S | S | * | * | trans | -103.9 | 124.2 | 150.7 | 171 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 20 | S | 47.9 | Very low | 48.3 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -77.6 | 125 | 170.3 | 173.2 | 0 | 0 | 0 | 0 | 108.9 | M22 | S20-M22 WeakPolarHBondContact O-CE 3.48Š| ||
| 21 | G | 49.7 | Very low | 48.8 | Very low | 65 Ų | 65 | 129 Ų | 129 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | trans | 68.3 | 94.9 | 145.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 22 | M | 52.9 | Low | 49.2 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 66% | 0.655 | 77% | 0.772 | S | S | * | * | trans | -166.3 | 122.8 | 150.8 | 45.5 | -63.7 | -81.6 | 0 | 0 | 110.9 | S20 | S20-M22 WeakPolarHBondContact O-CE 3.48Š| ||
| 23 | D | 43.8 | Very low | 50 | Low | 143 Ų | 143 | 126 Ų | 126 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | trans | 77.2 | 93.4 | 153 | -69.4 | -73.9 | 0 | 0 | 0 | 121.9 | ||||
| 24 | L | 52 | Low | 50.8 | Low | 150 Ų | 150 | 124.3 Ų | 124.3 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | 16.6 | 132.6 | 109.7 | -79.2 | 155.9 | 0 | 0 | 0 | 118.1 | |||||
| 25 | L | 50.5 | Low | 51.9 | Low | 154 Ų | 154 | 126.3 Ų | 126.3 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | trans | 93 | 81.8 | 158.6 | -45.4 | -173.1 | 0 | 0 | 0 | 117.8 | ||||
| 26 | H | 45.7 | Very low | 52.7 | Low | 173 Ų | 173 | 129.6 Ų | 129.6 | 80% | 0.801 | 76% | 0.761 | S | S | * | * | trans | -140.9 | 92.4 | 140.4 | -157.1 | -108.7 | 0 | 0 | 0 | 110.6 | ||||
| 27 | P | 54.3 | Low | 53.8 | Low | 108 Ų | 108 | 133.8 Ų | 133.8 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | -83 | 149.5 | 168.9 | 33.1 | -27.1 | 0 | 0 | 0 | 109.9 | ||||
| 28 | S | 51 | Low | 55.2 | Low | 111 Ų | 111 | 134.6 Ų | 134.6 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | 82.4 | 56.8 | 156.2 | -171.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 29 | V | 54.8 | Low | 57 | Low | 104 Ų | 104 | 137.8 Ų | 137.8 | 63% | 0.63 | 76% | 0.761 | S | S | * | * | trans | -134.8 | 90.3 | 136 | -167.7 | 0 | 0 | 0 | 0 | 108.1 | Y31 | V29-Y31 VanDerWaalsContact C-N 3.26Å; V29-Y31 HydrophobicContact CG1-CD2 3.91Å; V29-Y31 HydrophobicContact CG1-CE2 3.69Å; V29-Y31 PolarHBondContact O-N 2.8Å | ||
| 30 | G | 51.4 | Low | 58.9 | Low | 78 Ų | 78 | 143.1 Ų | 143.1 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -68.8 | 80.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 31 | Y | 55.8 | Low | 60.9 | Low | 193 Ų | 193 | 144.5 Ų | 144.5 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | trans | -67.4 | 126 | 152.5 | -78 | -86 | 0 | 0 | 0 | 106.8 | V29 A33 | V29-Y31 VanDerWaalsContact C-N 3.26Å; V29-Y31 HydrophobicContact CG1-CD2 3.91Å; V29-Y31 HydrophobicContact CG1-CE2 3.69Å; V29-Y31 PolarHBondContact O-N 2.8Å; Y31-A33 VanDerWaalsContact C-N 3.3Å; Y31-A33 PolarHBondContact O-N 2.71Å | ||
| 32 | P | 56.9 | Low | 63 | Low | 118 Ų | 118 | 151.3 Ų | 151.3 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | trans | -60.8 | 103.5 | 169.9 | 25.4 | -31 | 0 | 0 | 0 | 106.3 | T34 | P32-T34 PolarHBondContact O-N 2.89Š| ||
| 33 | A | 62.4 | Low | 64.9 | Low | 91 Ų | 91 | 146.5 Ų | 146.5 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | trans | -51.6 | 110.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 105.7 | Y31 | Y31-A33 VanDerWaalsContact C-N 3.3Å; Y31-A33 PolarHBondContact O-N 2.71Å | ||
| 34 | T | 65.6 | Low | 67.4 | Low | 121 Ų | 121 | 145.8 Ų | 145.8 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | trans | -43.7 | 122 | 176.7 | 51.1 | 0 | 0 | 0 | 0 | 107.2 | P32 R36 | P32-T34 PolarHBondContact O-N 2.89Å; T34-R36 PolarHBondContact O-N 2.82Å | ||
| 35 | P | 64.1 | Low | 69.6 | Low | 124 Ų | 124 | 141 Ų | 141 | 81% | 0.805 | 72% | 0.72 | S | S | * | * | trans | -56.8 | 113 | -171.3 | 19.9 | -30.9 | 0 | 0 | 0 | 107.6 | K37 | P35-K37 PolarHBondContact O-N 2.68Š| ||
| 36 | R | 65.4 | Low | 71.9 | Confident | 238 Ų | 238 | 137.4 Ų | 137.4 | 90% | 0.898 | 71% | 0.705 | S | S | * | * | trans | -52.1 | 112.3 | 175.6 | -80.3 | -166.1 | -94.1 | 137.1 | -9.3 | 105.9 | T34 Q38 | T34-R36 PolarHBondContact O-N 2.82Å; R36-Q38 PolarHBondContact O-N 3.19Å | ||
| 37 | K | 67.9 | Low | 74.3 | Confident | 206 Ų | 206 | 137 Ų | 137 | 90% | 0.896 | 70% | 0.696 | S | S | * | * | trans | -46.3 | 100.8 | -171.1 | -134 | 159.2 | -178.9 | 172.4 | 0 | 108.8 | P35 R39 | P35-K37 PolarHBondContact O-N 2.68Å; K37-R39 PolarHBondContact O-N 2.93Å | ||
| 38 | Q | 77.9 | Confident | 76.4 | Confident | 160 Ų | 160 | 134.8 Ų | 134.8 | 75% | 0.748 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 117.6 | 179.6 | -177.3 | 74.1 | 22 | 0 | 0 | 106.6 | R36 R40 | R36-Q38 PolarHBondContact O-N 3.19Å; Q38-R40 PolarHBondContact O-N 3.32Å |
| 39 | R | 84.2 | Confident | 78.7 | Confident | 199 Ų | 199 | 131 Ų | 131 | 75% | 0.751 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 126.2 | 178.9 | -179 | 172.9 | 175.2 | -127.2 | 5.3 | 107.6 | K37 E41 | K37-R39 PolarHBondContact O-N 2.93Å; R39-E41 PolarHBondContact O-N 2.89Å |
| 40 | R | 82.6 | Confident | 80.8 | Confident | 224 Ų | 224 | 128.1 Ų | 128.1 | 85% | 0.845 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 134.2 | 176.7 | -72.5 | 178.9 | 179.7 | 178.2 | -1.2 | 109.5 | Q38 R42 | Q38-R40 PolarHBondContact O-N 3.32Å; R40-R42 PolarHBondContact O-N 3.4Å |
| 41 | E | 90.3 | Very high | 83 | Confident | 142 Ų | 142 | 127.8 Ų | 127.8 | 66% | 0.664 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 137.5 | 179.1 | -64.2 | -57.4 | 153.3 | 0 | 0 | 111.5 | R39 R81 | R39-E41 PolarHBondContact O-N 2.89Å; E41-R81 PolarHBondContact O-NH1 3.47Å; E41-R81 PolarHBondContact O-NH2 3.37Å |
| 42 | R | 93.2 | Very high | 85 | Confident | 207 Ų | 207 | 121 Ų | 121 | 78% | 0.781 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 135.7 | -179.4 | -171.2 | 177.8 | -177 | -179.8 | 1.6 | 109.3 | R40 | R40-R42 PolarHBondContact O-N 3.4Š|
| 43 | T | 94.3 | Very high | 87 | Confident | 33 Ų | 33 | 115.4 Ų | 115.4 | 20% | 0.202 | 56% | 0.558 | C | S | . | * | P | Polyproline II helix | trans | -86.5 | 130.4 | 173 | -57.3 | 0 | 0 | 0 | 0 | 108.7 | F45 L77 R81 | T43-F45 HydrophobicContact CG2-CE1 4.4Å; T43-F45 HydrophobicContact CG2-CZ 4.42Å; T43-L77 HydrophobicContact CG2-CD1 4.02Å; T43-L77 HydrophobicContact CG2-CD2 3.71Å; T43-R81 VanDerWaalsContact OG1-CD 3.23Å; T43-R81 WeakPolarHBondContact OG1-CD 3.4Å; T43-R81 PolarHBondContact OG1-NE 2.99Å; T43-R81 PolarHBondContact OG1-NH1 3.49Å |
| 44 | T | 95.8 | Very high | 88.7 | Confident | 127 Ų | 127 | 114.1 Ų | 114.1 | 78% | 0.779 | 54% | 0.536 | S | S | * | . | trans | -104 | 125.1 | 167.5 | -57.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 45 | F | 97.2 | Very high | 90.3 | Very high | 50 Ų | 50 | 111.2 Ų | 111.2 | 22% | 0.219 | 52% | 0.524 | C | S | . | . | trans | -85.6 | 136.8 | 179.5 | -60.5 | -88.1 | 0 | 0 | 0 | 109.8 | T43 L50 L53 L77 R81 W85 | T43-F45 HydrophobicContact CG2-CE1 4.4Å; T43-F45 HydrophobicContact CG2-CZ 4.42Å; F45-L50 HydrophobicContact CB-CD2 3.72Å; F45-L50 HydrophobicContact CB-CG 3.87Å; F45-L50 HydrophobicContact CG-CD2 4.14Å; F45-L53 HydrophobicContact CD1-CD1 3.96Å; F45-L53 HydrophobicContact CE1-CD1 4.03Å; F45-L77 HydrophobicContact CD1-CD1 3.48Å; F45-L77 VanDerWaalsContact CD1-CD1 3.48Å; F45-L77 HydrophobicContact CE1-CD1 3.37Å; F45-L77 HydrophobicContact CZ-CD1 4.49Å; F45-R81 HydrophobicContact CZ-CB 4.4Å; F45-W85 AromaticContact CD2-CD1 3.99Å; F45-W85 HydrophobicContact CE2-CB 4.48Å; F45-W85 AromaticContact CE2-CD1 3.71Å; F45-W85 HydrophobicContact CE2-CG 4.49Å; F45-W85 HydrophobicContact CZ-CB 4Å; F45-W85 AromaticContact CZ-CD1 3.85Å; F45-W85 HydrophobicContact CZ-CG 4.28Å | ||
| 46 | T | 98.3 | Very high | 91.9 | Very high | 79 Ų | 79 | 106.1 Ų | 106.1 | 49% | 0.485 | 49% | 0.491 | S | S | . | . | trans | -75.2 | 164.5 | 169.5 | 75 | 0 | 0 | 0 | 0 | 110.4 | A48 Q49 L50 | T46-A48 PolarHBondContact O-N 3Å; T46-Q49 PolarHBondContact O-N 3.45Å; T46-Q49 VanDerWaalsContact OG1-CG 3.26Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.28Å; T46-Q49 PolarHBondContact OG1-N 3.41Å; T46-L50 WeakPolarHBondContact O-CG 3.45Å; T46-L50 PolarHBondContact O-N 3.3Å; T46-L50 VanDerWaalsContact O-N 3.1Å | ||
| 47 | R | 97.9 | Very high | 93.4 | Very high | 163 Ų | 163 | 96.1 Ų | 96.1 | 62% | 0.615 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -59.7 | -47.1 | -179.8 | -177.5 | 64.6 | -160.1 | -171.8 | 8.7 | 112.3 | Q49 L50 D51 | R47-Q49 VanDerWaalsContact C-N 3.28Å; R47-Q49 PolarHBondContact O-N 2.96Å; R47-L50 WeakPolarHBondContact O-CB 3.38Å; R47-L50 PolarHBondContact O-N 2.87Å; R47-D51 IonicContact CZ-OD1 2.74Å; R47-D51 VanDerWaalsContact CZ-OD1 3.29Å; R47-D51 IonicContact NE-OD1 2.83Å; R47-D51 PolarHBondContact NE-OD1 3.06Å; R47-D51 IonicContact NE-OD2 2.87Å; R47-D51 IonicContact NH2-OD1 3.24Å; R47-D51 PolarHBondContact NH2-OD1 2.86Å; R47-D51 PolarHBondContact O-N 3.47Å |
| 48 | A | 98.1 | Very high | 94.9 | Very high | 62 Ų | 62 | 89.7 Ų | 89.7 | 51% | 0.512 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.6 | -37.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T46 D51 I52 | T46-A48 PolarHBondContact O-N 3Å; A48-D51 PolarHBondContact O-N 3.25Å; A48-I52 WeakPolarHBondContact O-CG1 3.39Å; A48-I52 PolarHBondContact O-N 2.95Å |
| 49 | Q | 98.3 | Very high | 95.8 | Very high | 31 Ų | 31 | 89.7 Ų | 89.7 | 15% | 0.145 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 175.5 | -64.5 | 174.2 | -30.5 | 0 | 0 | 111.5 | T46 R47 I52 L53 I75 | T46-Q49 PolarHBondContact O-N 3.45Å; T46-Q49 VanDerWaalsContact OG1-CG 3.26Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.28Å; T46-Q49 PolarHBondContact OG1-N 3.41Å; R47-Q49 VanDerWaalsContact C-N 3.28Å; R47-Q49 PolarHBondContact O-N 2.96Å; Q49-I52 PolarHBondContact O-N 2.78Å; Q49-L53 WeakPolarHBondContact O-CD1 3.44Å; Q49-L53 VanDerWaalsContact O-CG 3.27Å; Q49-L53 WeakPolarHBondContact O-CG 3.45Å; Q49-L53 PolarHBondContact O-N 2.74Å; Q49-L53 VanDerWaalsContact O-N 3.09Å; Q49-I75 HydrophobicContact CB-CB 4.32Å; Q49-I75 HydrophobicContact CB-CG2 4.35Å; Q49-I75 HydrophobicContact CG-CB 3.95Å; Q49-I75 HydrophobicContact CG-CG2 4.32Å; Q49-I75 PolarHBondContact NE2-O 3.02Å |
| 50 | L | 98.5 | Very high | 96.4 | Very high | 44 Ų | 44 | 82.1 Ų | 82.1 | 23% | 0.23 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 175.5 | -67.7 | 174.1 | 0 | 0 | 0 | 111.6 | F45 T46 R47 I52 L53 E54 W85 | F45-L50 HydrophobicContact CB-CD2 3.72Å; F45-L50 HydrophobicContact CB-CG 3.87Å; F45-L50 HydrophobicContact CG-CD2 4.14Å; T46-L50 WeakPolarHBondContact O-CG 3.45Å; T46-L50 PolarHBondContact O-N 3.3Å; T46-L50 VanDerWaalsContact O-N 3.1Å; R47-L50 WeakPolarHBondContact O-CB 3.38Å; R47-L50 PolarHBondContact O-N 2.87Å; L50-I52 VanDerWaalsContact C-N 3.31Å; L50-I52 PolarHBondContact O-N 3.27Å; L50-L53 PolarHBondContact O-N 2.77Å; L50-E54 WeakPolarHBondContact O-CB 3.41Å; L50-E54 WeakPolarHBondContact O-CG 3.44Å; L50-E54 PolarHBondContact O-N 3.1Å; L50-W85 HydrophobicContact CD2-CZ2 4.34Å |
| 51 | D | 98.4 | Very high | 97.1 | Very high | 71 Ų | 71 | 78.6 Ų | 78.6 | 38% | 0.38 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 180 | -62 | -35.7 | 0 | 0 | 0 | 111.2 | R47 A48 E54 A55 | R47-D51 IonicContact CZ-OD1 2.74Å; R47-D51 VanDerWaalsContact CZ-OD1 3.29Å; R47-D51 IonicContact NE-OD1 2.83Å; R47-D51 PolarHBondContact NE-OD1 3.06Å; R47-D51 IonicContact NE-OD2 2.87Å; R47-D51 IonicContact NH2-OD1 3.24Å; R47-D51 PolarHBondContact NH2-OD1 2.86Å; R47-D51 PolarHBondContact O-N 3.47Å; A48-D51 PolarHBondContact O-N 3.25Å; D51-E54 PolarHBondContact O-N 3.46Å; D51-A55 VanDerWaalsContact O-CB 3.28Å; D51-A55 WeakPolarHBondContact O-CB 3.48Å; D51-A55 PolarHBondContact O-N 2.92Å |
| 52 | I | 98.2 | Very high | 97.5 | Very high | 52 Ų | 52 | 78.8 Ų | 78.8 | 27% | 0.267 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 174 | -64.7 | 164.4 | 0 | 0 | 0 | 111.3 | A48 Q49 L50 A55 L56 V71 K74 I75 | A48-I52 WeakPolarHBondContact O-CG1 3.39Å; A48-I52 PolarHBondContact O-N 2.95Å; Q49-I52 PolarHBondContact O-N 2.78Å; L50-I52 VanDerWaalsContact C-N 3.31Å; L50-I52 PolarHBondContact O-N 3.27Å; I52-A55 PolarHBondContact O-N 3.46Å; I52-L56 PolarHBondContact O-N 3.47Å; I52-V71 HydrophobicContact CG2-CG1 4.04Å; I52-K74 HydrophobicContact CD1-CG 4.47Å; I52-K74 HydrophobicContact CG2-CD 4.42Å; I52-I75 HydrophobicContact CB-CG2 4.22Å; I52-I75 HydrophobicContact CD1-CG2 3.79Å; I52-I75 HydrophobicContact CG2-CG2 4.11Å |
| 53 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 179.2 | -71.8 | 166.3 | 0 | 0 | 0 | 111.9 | F45 Q49 L50 L56 F57 V71 I75 V82 W85 F86 | F45-L53 HydrophobicContact CD1-CD1 3.96Å; F45-L53 HydrophobicContact CE1-CD1 4.03Å; Q49-L53 WeakPolarHBondContact O-CD1 3.44Å; Q49-L53 VanDerWaalsContact O-CG 3.27Å; Q49-L53 WeakPolarHBondContact O-CG 3.45Å; Q49-L53 PolarHBondContact O-N 2.74Å; Q49-L53 VanDerWaalsContact O-N 3.09Å; L50-L53 PolarHBondContact O-N 2.77Å; L53-L56 PolarHBondContact O-N 3.35Å; L53-F57 WeakPolarHBondContact O-CB 3.4Å; L53-F57 PolarHBondContact O-N 2.94Å; L53-V71 HydrophobicContact CD2-CG1 3.86Å; L53-I75 HydrophobicContact CD1-CD1 4.04Å; L53-I75 HydrophobicContact CD2-CD1 4.07Å; L53-I75 HydrophobicContact CG-CD1 4.1Å; L53-V82 HydrophobicContact CD2-CG1 3.85Å; L53-V82 HydrophobicContact CD2-CG2 4.34Å; L53-W85 HydrophobicContact CB-CD2 4.06Å; L53-W85 HydrophobicContact CB-CE3 3.95Å; L53-W85 HydrophobicContact CB-CH2 3.64Å; L53-W85 HydrophobicContact CB-CZ2 3.73Å; L53-W85 HydrophobicContact CB-CZ3 3.75Å; L53-W85 HydrophobicContact CD1-CD2 3.89Å; L53-W85 HydrophobicContact CD1-CE3 4.44Å; L53-W85 HydrophobicContact CD1-CG 3.93Å; L53-W85 HydrophobicContact CD2-CD2 4.47Å; L53-W85 HydrophobicContact CD2-CE3 4.26Å; L53-W85 HydrophobicContact CG-CD2 4.38Å; L53-W85 HydrophobicContact CG-CE3 4.46Å; L53-F86 HydrophobicContact CD2-CE2 3.93Å |
| 54 | E | 98.3 | Very high | 97.9 | Very high | 63 Ų | 63 | 72 Ų | 72 | 29% | 0.294 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.1 | -39.7 | 176.6 | -71.8 | -170.7 | 158.2 | 0 | 0 | 111.7 | L50 D51 L56 F57 G58 W85 R89 | L50-E54 WeakPolarHBondContact O-CB 3.41Å; L50-E54 WeakPolarHBondContact O-CG 3.44Å; L50-E54 PolarHBondContact O-N 3.1Å; D51-E54 PolarHBondContact O-N 3.46Å; E54-L56 VanDerWaalsContact C-N 3.34Å; E54-L56 PolarHBondContact O-N 3.11Å; E54-F57 WeakPolarHBondContact O-CB 3.32Å; E54-F57 PolarHBondContact O-N 3.19Å; E54-G58 PolarHBondContact O-N 2.93Å; E54-W85 HydrophobicContact CG-CH2 3.85Å; E54-W85 HydrophobicContact CG-CZ2 3.86Å; E54-R89 IonicContact OE1-CZ 3.29Å; E54-R89 IonicContact OE1-NH1 3.7Å; E54-R89 PolarHBondContact OE1-NH1 3.3Å; E54-R89 IonicContact OE1-NH2 3Å; E54-R89 PolarHBondContact OE1-NH2 3.41Å |
| 55 | A | 98.2 | Very high | 98 | Very high | 60 Ų | 60 | 68.6 Ų | 68.6 | 50% | 0.496 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D51 I52 G58 K59 | D51-A55 VanDerWaalsContact O-CB 3.28Å; D51-A55 WeakPolarHBondContact O-CB 3.48Å; D51-A55 PolarHBondContact O-N 2.92Å; I52-A55 PolarHBondContact O-N 3.46Å; A55-G58 PolarHBondContact O-N 3.03Å; A55-K59 PolarHBondContact O-N 3.46Å |
| 56 | L | 98 | Very high | 98.1 | Very high | 18 Ų | 18 | 73.2 Ų | 73.2 | 9% | 0.094 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.9 | -40.2 | 174.2 | -175 | 63.2 | 0 | 0 | 0 | 111.7 | I52 L53 E54 G58 K59 T60 P63 M67 V71 F86 | I52-L56 PolarHBondContact O-N 3.47Å; L53-L56 PolarHBondContact O-N 3.35Å; E54-L56 VanDerWaalsContact C-N 3.34Å; E54-L56 PolarHBondContact O-N 3.11Å; L56-G58 VanDerWaalsContact C-N 3.26Å; L56-G58 PolarHBondContact O-N 3.44Å; L56-K59 WeakPolarHBondContact O-CB 3.37Å; L56-K59 PolarHBondContact O-N 3.43Å; L56-T60 PolarHBondContact O-N 3.47Å; L56-P63 HydrophobicContact CD2-CB 4.13Å; L56-M67 HydrophobicContact CD1-CE 3.7Å; L56-V71 HydrophobicContact CD2-CB 4.44Å; L56-V71 HydrophobicContact CD2-CG2 3.63Å; L56-F86 HydrophobicContact CB-CZ 4.15Å; L56-F86 HydrophobicContact CD2-CE2 4.23Å; L56-F86 HydrophobicContact CD2-CZ 3.8Å; L56-F86 HydrophobicContact CG-CZ 3.98Å |
| 57 | F | 98.2 | Very high | 98.1 | Very high | 28 Ų | 28 | 72.7 Ų | 72.7 | 12% | 0.123 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61 | -35 | 177.2 | -172.4 | -90.8 | 0 | 0 | 0 | 112.9 | L53 E54 K59 T60 R61 W85 F86 R89 R90 | L53-F57 WeakPolarHBondContact O-CB 3.4Å; L53-F57 PolarHBondContact O-N 2.94Å; E54-F57 WeakPolarHBondContact O-CB 3.32Å; E54-F57 PolarHBondContact O-N 3.19Å; F57-K59 VanDerWaalsContact C-N 3.28Å; F57-K59 PolarHBondContact O-N 2.75Å; F57-T60 WeakPolarHBondContact CA-O 3.4Å; F57-T60 CarbonylContact O-C 3.37Å; F57-R61 HydrophobicContact CE1-CG 3.93Å; F57-R61 HydrophobicContact CE2-CB 3.94Å; F57-R61 HydrophobicContact CE2-CG 4Å; F57-R61 HydrophobicContact CZ-CB 4.07Å; F57-R61 HydrophobicContact CZ-CG 3.65Å; F57-W85 HydrophobicContact CB-CH2 4.42Å; F57-W85 HydrophobicContact CB-CZ3 4.29Å; F57-W85 HydrophobicContact CD2-CZ3 4.45Å; F57-F86 HydrophobicContact CB-CE1 3.99Å; F57-F86 AromaticContact CD2-CD1 3.79Å; F57-F86 HydrophobicContact CD2-CD1 3.79Å; F57-F86 AromaticContact CD2-CE1 3.75Å; F57-F86 HydrophobicContact CD2-CE1 3.75Å; F57-F86 HydrophobicContact CE2-CD1 4.49Å; F57-F86 HydrophobicContact CG-CE1 4.37Å; F57-R89 HydrophobicContact CD1-CG 4.28Å; F57-R89 HydrophobicContact CD2-CB 4.3Å; F57-R89 HydrophobicContact CD2-CG 3.7Å; F57-R89 HydrophobicContact CE1-CG 4.17Å; F57-R89 HydrophobicContact CE2-CB 4.1Å; F57-R89 HydrophobicContact CE2-CG 3.58Å; F57-R89 HydrophobicContact CG-CG 4.06Å; F57-R89 HydrophobicContact CZ-CG 3.83Å; F57-R90 HydrophobicContact CE2-CG 3.88Å; F57-R90 HydrophobicContact CZ-CG 4.39Å |
| 58 | G | 98 | Very high | 98.1 | Very high | 70 Ų | 70 | 67 Ų | 67 | 72% | 0.722 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.7 | -34.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E54 A55 L56 | E54-G58 PolarHBondContact O-N 2.93Å; A55-G58 PolarHBondContact O-N 3.03Å; L56-G58 VanDerWaalsContact C-N 3.26Å; L56-G58 PolarHBondContact O-N 3.44Å |
| 59 | K | 97.3 | Very high | 98.1 | Very high | 160 Ų | 160 | 68.1 Ų | 68.1 | 70% | 0.696 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -76.8 | -47.5 | 175.4 | -62.9 | 175.1 | -178.5 | 172.4 | 0 | 112.1 | A55 L56 F57 | A55-K59 PolarHBondContact O-N 3.46Å; L56-K59 WeakPolarHBondContact O-CB 3.37Å; L56-K59 PolarHBondContact O-N 3.43Å; F57-K59 VanDerWaalsContact C-N 3.28Å; F57-K59 PolarHBondContact O-N 2.75Å |
| 60 | T | 97.6 | Very high | 98.1 | Very high | 41 Ų | 41 | 73.1 Ų | 73.1 | 25% | 0.252 | 37% | 0.366 | S | S | . | . | trans | -147.9 | 132.6 | 177 | 177.9 | 0 | 0 | 0 | 0 | 111.8 | L56 F57 Y62 P63 M67 | L56-T60 PolarHBondContact O-N 3.47Å; F57-T60 WeakPolarHBondContact CA-O 3.4Å; F57-T60 CarbonylContact O-C 3.37Å; T60-Y62 VanDerWaalsContact C-N 3.26Å; T60-Y62 PolarHBondContact O-N 3.09Å; T60-Y62 PolarHBondContact OG1-N 3.18Å; T60-Y62 VanDerWaalsContact OG1-N 3.14Å; T60-Y62 PolarHBondContact OG1-O 3.03Å; T60-P63 HydrophobicContact CG2-CB 4.05Å; T60-M67 HydrophobicContact CG2-CE 3.5Å; T60-M67 HydrophobicContact CG2-SD 4.31Å | ||
| 61 | R | 97.3 | Very high | 98.1 | Very high | 150 Ų | 150 | 71.6 Ų | 71.6 | 57% | 0.566 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -76.2 | -16.7 | 174.1 | -58.1 | -171.2 | -126.3 | 103.7 | -0.1 | 112.4 | F57 R90 | F57-R61 HydrophobicContact CE1-CG 3.93Å; F57-R61 HydrophobicContact CE2-CB 3.94Å; F57-R61 HydrophobicContact CE2-CG 4Å; F57-R61 HydrophobicContact CZ-CB 4.07Å; F57-R61 HydrophobicContact CZ-CG 3.65Å; R61-R90 WeakPolarHBondContact O-CD 3.27Å; R61-R90 PolarHBondContact O-NH1 2.79Å |
| 62 | Y | 98.2 | Very high | 98.1 | Very high | 146 Ų | 146 | 68.5 Ų | 68.5 | 57% | 0.573 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -130.6 | 74.5 | -176.9 | -64.2 | -92.6 | 0 | 0 | 0 | 109.7 | T60 R90 | T60-Y62 VanDerWaalsContact C-N 3.26Å; T60-Y62 PolarHBondContact O-N 3.09Å; T60-Y62 PolarHBondContact OG1-N 3.18Å; T60-Y62 VanDerWaalsContact OG1-N 3.14Å; T60-Y62 PolarHBondContact OG1-O 3.03Å; Y62-R90 VanDerWaalsContact CE1-CD 3.42Å; Y62-R90 VanDerWaalsContact CE1-NE 3.28Å |
| 63 | P | 97.7 | Very high | 98.1 | Very high | 7 Ų | 7 | 72.5 Ų | 72.5 | 5% | 0.045 | 36% | 0.364 | C | S | . | . | trans | -67.6 | 140.4 | 177.8 | 29 | -36.3 | 0 | 0 | 0 | 111 | L56 T60 M67 R68 F86 | L56-P63 HydrophobicContact CD2-CB 4.13Å; T60-P63 HydrophobicContact CG2-CB 4.05Å; P63-M67 HydrophobicContact CB-CB 4.02Å; P63-M67 HydrophobicContact CB-CE 4.46Å; P63-M67 HydrophobicContact CB-SD 4.44Å; P63-R68 HydrophobicContact CB-CG 3.95Å; P63-R68 HydrophobicContact CG-CG 3.72Å; P63-R68 PolarHBondContact O-NH1 3.12Å; P63-F86 VanDerWaalsContact CD-CD1 3.46Å; P63-F86 HydrophobicContact CG-CD1 3.65Å; P63-F86 HydrophobicContact CG-CD2 3.98Å; P63-F86 HydrophobicContact CG-CE1 3.57Å; P63-F86 HydrophobicContact CG-CE2 3.92Å; P63-F86 HydrophobicContact CG-CG 3.87Å; P63-F86 HydrophobicContact CG-CZ 3.73Å | ||
| 64 | D | 98.4 | Very high | 98.1 | Very high | 90 Ų | 90 | 79.2 Ų | 79.2 | 48% | 0.481 | 39% | 0.393 | S | S | . | . | trans | -69.1 | 167.2 | 174.6 | -169.4 | 21 | 0 | 0 | 0 | 112 | F66 M67 R68 | D64-F66 VanDerWaalsContact C-N 3.32Å; D64-F66 PolarHBondContact O-N 3.39Å; D64-M67 HydrophobicContact CB-CG 4.48Å; D64-M67 HydrophobicContact CB-SD 4.42Å; D64-M67 PolarHBondContact O-N 3.1Å; D64-R68 WeakPolarHBondContact O-CG 3.49Å; D64-R68 PolarHBondContact O-N 3.14Å | ||
| 65 | I | 98 | Very high | 98.1 | Very high | 56 Ų | 56 | 76.5 Ų | 76.5 | 29% | 0.287 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -51.8 | -49.5 | 179.6 | -174.9 | 59.5 | 0 | 0 | 0 | 111.6 | M67 R68 E69 E79 | I65-M67 PolarHBondContact O-N 3.48Å; I65-R68 PolarHBondContact O-N 2.9Å; I65-R68 VanDerWaalsContact O-N 3.11Å; I65-E69 HydrophobicContact CD1-CG 4.28Å; I65-E69 HydrophobicContact CG1-CG 4.44Å; I65-E69 WeakPolarHBondContact O-CG 3.45Å; I65-E69 PolarHBondContact O-N 3.04Å; I65-E79 HydrophobicContact CD1-CG 4.09Å; I65-E79 WeakPolarHBondContact CD1-OE1 3.48Å |
| 66 | F | 98.4 | Very high | 98 | Very high | 146 Ų | 146 | 80.5 Ų | 80.5 | 64% | 0.64 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.6 | -41.8 | -178.9 | -59.1 | -66.4 | 0 | 0 | 0 | 112.5 | D64 R68 E69 E70 | D64-F66 VanDerWaalsContact C-N 3.32Å; D64-F66 PolarHBondContact O-N 3.39Å; F66-R68 VanDerWaalsContact C-N 3.29Å; F66-R68 PolarHBondContact O-N 3.47Å; F66-E69 PolarHBondContact O-N 2.89Å; F66-E70 PolarHBondContact O-N 3.46Å |
| 67 | M | 98.2 | Very high | 98 | Very high | 68 Ų | 68 | 81.1 Ų | 81.1 | 34% | 0.335 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.5 | -35.9 | 177 | -61.8 | 176.2 | 68.8 | 0 | 0 | 111.9 | L56 T60 P63 D64 I65 V71 | L56-M67 HydrophobicContact CD1-CE 3.7Å; T60-M67 HydrophobicContact CG2-CE 3.5Å; T60-M67 HydrophobicContact CG2-SD 4.31Å; P63-M67 HydrophobicContact CB-CB 4.02Å; P63-M67 HydrophobicContact CB-CE 4.46Å; P63-M67 HydrophobicContact CB-SD 4.44Å; D64-M67 HydrophobicContact CB-CG 4.48Å; D64-M67 HydrophobicContact CB-SD 4.42Å; D64-M67 PolarHBondContact O-N 3.1Å; I65-M67 PolarHBondContact O-N 3.48Å; M67-V71 PolarHBondContact O-N 2.75Å |
| 68 | R | 98.6 | Very high | 98 | Very high | 43 Ų | 43 | 83.4 Ų | 83.4 | 16% | 0.162 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -71.4 | -41 | 176.5 | -66.9 | -165.6 | -52.6 | -86.1 | -2.2 | 111.3 | P63 D64 I65 F66 V71 A72 E79 V82 | P63-R68 HydrophobicContact CB-CG 3.95Å; P63-R68 HydrophobicContact CG-CG 3.72Å; P63-R68 PolarHBondContact O-NH1 3.12Å; D64-R68 WeakPolarHBondContact O-CG 3.49Å; D64-R68 PolarHBondContact O-N 3.14Å; I65-R68 PolarHBondContact O-N 2.9Å; I65-R68 VanDerWaalsContact O-N 3.11Å; F66-R68 VanDerWaalsContact C-N 3.29Å; F66-R68 PolarHBondContact O-N 3.47Å; R68-V71 PolarHBondContact O-N 3.12Å; R68-A72 WeakPolarHBondContact O-CB 3.47Å; R68-A72 PolarHBondContact O-N 3.28Å; R68-E79 HydrophobicContact CB-CG 4.04Å; R68-E79 IonicContact CZ-OE1 3.36Å; R68-E79 VanDerWaalsContact CZ-OE1 3.24Å; R68-E79 IonicContact NE-OE1 3.43Å; R68-E79 PolarHBondContact NE-OE1 3.23Å; R68-E79 IonicContact NH2-OE1 2.75Å; R68-E79 PolarHBondContact NH2-OE1 3.38Å; R68-V82 HydrophobicContact CB-CG1 4.15Å; R68-V82 HydrophobicContact CG-CG1 4.15Å |
| 69 | E | 98.6 | Very high | 98 | Very high | 86 Ų | 86 | 82.3 Ų | 82.3 | 40% | 0.402 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 176.3 | -72.5 | 177.3 | 161.5 | 0 | 0 | 111.7 | I65 F66 V71 A72 L73 E79 | I65-E69 HydrophobicContact CD1-CG 4.28Å; I65-E69 HydrophobicContact CG1-CG 4.44Å; I65-E69 WeakPolarHBondContact O-CG 3.45Å; I65-E69 PolarHBondContact O-N 3.04Å; F66-E69 PolarHBondContact O-N 2.89Å; E69-V71 PolarHBondContact O-N 3.31Å; E69-A72 WeakPolarHBondContact O-CB 3.26Å; E69-A72 PolarHBondContact O-N 2.98Å; E69-L73 WeakPolarHBondContact O-CG 3.46Å; E69-L73 PolarHBondContact O-N 3.35Å; E69-E79 HydrophobicContact CG-CB 4.44Å; E69-E79 HydrophobicContact CG-CG 4.03Å |
| 70 | E | 98.2 | Very high | 98 | Very high | 136 Ų | 136 | 77.3 Ų | 77.3 | 64% | 0.636 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -57.6 | -48 | 176.6 | -170.5 | -166.3 | 153 | 0 | 0 | 111.6 | F66 L73 K74 | F66-E70 PolarHBondContact O-N 3.46Å; E70-L73 PolarHBondContact O-N 3.47Å; E70-K74 WeakPolarHBondContact O-CB 3.42Å; E70-K74 PolarHBondContact O-N 3.04Å |
| 71 | V | 98.3 | Very high | 98 | Very high | 13 Ų | 13 | 78.4 Ų | 78.4 | 8% | 0.079 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.5 | -38.5 | 177.7 | 170.6 | 0 | 0 | 0 | 0 | 111.8 | I52 L53 L56 M67 R68 E69 L73 K74 I75 | I52-V71 HydrophobicContact CG2-CG1 4.04Å; L53-V71 HydrophobicContact CD2-CG1 3.86Å; L56-V71 HydrophobicContact CD2-CB 4.44Å; L56-V71 HydrophobicContact CD2-CG2 3.63Å; M67-V71 PolarHBondContact O-N 2.75Å; R68-V71 PolarHBondContact O-N 3.12Å; E69-V71 PolarHBondContact O-N 3.31Å; V71-L73 VanDerWaalsContact C-N 3.32Å; V71-L73 PolarHBondContact O-N 3.3Å; V71-K74 WeakPolarHBondContact O-CB 3.39Å; V71-K74 PolarHBondContact O-N 3.47Å; V71-K74 VanDerWaalsContact O-N 3.14Å; V71-I75 HydrophobicContact CG1-CD1 4.14Å; V71-I75 HydrophobicContact CG1-CG2 4.27Å; V71-I75 VanDerWaalsContact O-CG1 3.3Å; V71-I75 WeakPolarHBondContact O-CG1 3.47Å; V71-I75 PolarHBondContact O-N 3.37Å |
| 72 | A | 98.4 | Very high | 98.1 | Very high | 5 Ų | 5 | 71.3 Ų | 71.3 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.6 | -45.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R68 E69 I75 N76 L77 E79 V82 | R68-A72 WeakPolarHBondContact O-CB 3.47Å; R68-A72 PolarHBondContact O-N 3.28Å; E69-A72 WeakPolarHBondContact O-CB 3.26Å; E69-A72 PolarHBondContact O-N 2.98Å; A72-I75 PolarHBondContact O-N 2.95Å; A72-N76 PolarHBondContact O-N 2.91Å; A72-L77 CarbonylContact C-O 3.45Å; A72-L77 VanDerWaalsContact CB-O 3.31Å; A72-L77 WeakPolarHBondContact CB-O 2.96Å; A72-L77 PolarHBondContact O-N 3.48Å; A72-L77 VanDerWaalsContact O-O 3.1Å; A72-E79 HydrophobicContact CB-CB 4.25Å; A72-V82 HydrophobicContact CB-CG2 3.9Å |
| 73 | L | 98.4 | Very high | 98.1 | Very high | 137 Ų | 137 | 68.3 Ų | 68.3 | 72% | 0.717 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.8 | -48.3 | 172.5 | -68.3 | 173 | 0 | 0 | 0 | 111.1 | E69 E70 V71 I75 N76 | E69-L73 WeakPolarHBondContact O-CG 3.46Å; E69-L73 PolarHBondContact O-N 3.35Å; E70-L73 PolarHBondContact O-N 3.47Å; V71-L73 VanDerWaalsContact C-N 3.32Å; V71-L73 PolarHBondContact O-N 3.3Å; L73-I75 VanDerWaalsContact C-N 3.3Å; L73-I75 PolarHBondContact O-N 2.89Å; L73-N76 PolarHBondContact O-N 3.05Å; L73-N76 VanDerWaalsContact O-N 3.17Å |
| 74 | K | 97.7 | Very high | 98.1 | Very high | 140 Ų | 140 | 71.3 Ų | 71.3 | 61% | 0.609 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -58.9 | -37.6 | -179.4 | -173 | 170 | -175.8 | 164 | 0 | 113.6 | I52 E70 V71 | I52-K74 HydrophobicContact CD1-CG 4.47Å; I52-K74 HydrophobicContact CG2-CD 4.42Å; E70-K74 WeakPolarHBondContact O-CB 3.42Å; E70-K74 PolarHBondContact O-N 3.04Å; V71-K74 WeakPolarHBondContact O-CB 3.39Å; V71-K74 PolarHBondContact O-N 3.47Å; V71-K74 VanDerWaalsContact O-N 3.14Å |
| 75 | I | 97.7 | Very high | 98.1 | Very high | 6 Ų | 6 | 68.2 Ų | 68.2 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 4 | -178.8 | 73.2 | -177 | 0 | 0 | 0 | 113.7 | Q49 I52 L53 V71 A72 L73 L77 V82 | Q49-I75 HydrophobicContact CB-CB 4.32Å; Q49-I75 HydrophobicContact CB-CG2 4.35Å; Q49-I75 HydrophobicContact CG-CB 3.95Å; Q49-I75 HydrophobicContact CG-CG2 4.32Å; Q49-I75 PolarHBondContact NE2-O 3.02Å; I52-I75 HydrophobicContact CB-CG2 4.22Å; I52-I75 HydrophobicContact CD1-CG2 3.79Å; I52-I75 HydrophobicContact CG2-CG2 4.11Å; L53-I75 HydrophobicContact CD1-CD1 4.04Å; L53-I75 HydrophobicContact CD2-CD1 4.07Å; L53-I75 HydrophobicContact CG-CD1 4.1Å; V71-I75 HydrophobicContact CG1-CD1 4.14Å; V71-I75 HydrophobicContact CG1-CG2 4.27Å; V71-I75 VanDerWaalsContact O-CG1 3.3Å; V71-I75 WeakPolarHBondContact O-CG1 3.47Å; V71-I75 PolarHBondContact O-N 3.37Å; A72-I75 PolarHBondContact O-N 2.95Å; L73-I75 VanDerWaalsContact C-N 3.3Å; L73-I75 PolarHBondContact O-N 2.89Å; I75-L77 HydrophobicContact CD1-CB 4.37Å; I75-L77 HydrophobicContact CD1-CD1 3.84Å; I75-L77 HydrophobicContact CD1-CG 4.38Å; I75-L77 HydrophobicContact CG1-CB 4Å; I75-L77 HydrophobicContact CG1-CD1 4.02Å; I75-L77 HydrophobicContact CG1-CG 4.03Å; I75-L77 PolarHBondContact O-N 2.86Å; I75-V82 HydrophobicContact CD1-CG2 3.99Å |
| 76 | N | 97.9 | Very high | 98.1 | Very high | 144 Ų | 144 | 65.7 Ų | 65.7 | 77% | 0.77 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 47.3 | -177.5 | -69.7 | -82.9 | 0 | 0 | 0 | 113.4 | A72 L73 | A72-N76 PolarHBondContact O-N 2.91Å; L73-N76 PolarHBondContact O-N 3.05Å; L73-N76 VanDerWaalsContact O-N 3.17Å |
| 77 | L | 97.2 | Very high | 98.1 | Very high | 31 Ų | 31 | 64.2 Ų | 64.2 | 16% | 0.162 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -129.1 | 155.6 | 175.2 | -65.9 | 177.8 | 0 | 0 | 0 | 110.6 | T43 F45 A72 I75 R81 | T43-L77 HydrophobicContact CG2-CD1 4.02Å; T43-L77 HydrophobicContact CG2-CD2 3.71Å; F45-L77 HydrophobicContact CD1-CD1 3.48Å; F45-L77 VanDerWaalsContact CD1-CD1 3.48Å; F45-L77 HydrophobicContact CE1-CD1 3.37Å; F45-L77 HydrophobicContact CZ-CD1 4.49Å; A72-L77 CarbonylContact C-O 3.45Å; A72-L77 VanDerWaalsContact CB-O 3.31Å; A72-L77 WeakPolarHBondContact CB-O 2.96Å; A72-L77 PolarHBondContact O-N 3.48Å; A72-L77 VanDerWaalsContact O-O 3.1Å; I75-L77 HydrophobicContact CD1-CB 4.37Å; I75-L77 HydrophobicContact CD1-CD1 3.84Å; I75-L77 HydrophobicContact CD1-CG 4.38Å; I75-L77 HydrophobicContact CG1-CB 4Å; I75-L77 HydrophobicContact CG1-CD1 4.02Å; I75-L77 HydrophobicContact CG1-CG 4.03Å; I75-L77 PolarHBondContact O-N 2.86Å; L77-R81 HydrophobicContact CB-CB 4.47Å |
| 78 | P | 97.8 | Very high | 98.1 | Very high | 77 Ų | 77 | 65.8 Ų | 65.8 | 50% | 0.5 | 33% | 0.329 | S | S | . | . | trans | -61.1 | 143.1 | 171.4 | -21.7 | 32.3 | 0 | 0 | 0 | 111.8 | S80 R81 | P78-S80 PolarHBondContact O-N 3.06Å; P78-S80 VanDerWaalsContact O-N 3.13Å; P78-R81 HydrophobicContact CB-CG 4.3Å; P78-R81 HydrophobicContact CG-CG 4.26Å; P78-R81 WeakPolarHBondContact O-CB 3.33Å; P78-R81 PolarHBondContact O-N 3.34Å | ||
| 79 | E | 98.1 | Very high | 98.1 | Very high | 46 Ų | 46 | 67.7 Ų | 67.7 | 22% | 0.215 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -49.8 | -41.1 | 175.7 | -179.7 | -81.3 | 164.6 | 0 | 0 | 111.8 | I65 R68 E69 A72 R81 V82 Q83 | I65-E79 HydrophobicContact CD1-CG 4.09Å; I65-E79 WeakPolarHBondContact CD1-OE1 3.48Å; R68-E79 HydrophobicContact CB-CG 4.04Å; R68-E79 IonicContact CZ-OE1 3.36Å; R68-E79 VanDerWaalsContact CZ-OE1 3.24Å; R68-E79 IonicContact NE-OE1 3.43Å; R68-E79 PolarHBondContact NE-OE1 3.23Å; R68-E79 IonicContact NH2-OE1 2.75Å; R68-E79 PolarHBondContact NH2-OE1 3.38Å; E69-E79 HydrophobicContact CG-CB 4.44Å; E69-E79 HydrophobicContact CG-CG 4.03Å; A72-E79 HydrophobicContact CB-CB 4.25Å; E79-R81 PolarHBondContact O-N 3.36Å; E79-R81 VanDerWaalsContact O-N 3.13Å; E79-V82 CarbonylContact O-C 3.58Å; E79-V82 WeakPolarHBondContact O-CA 3.35Å; E79-V82 VanDerWaalsContact O-CB 3.31Å; E79-V82 WeakPolarHBondContact O-CB 3.36Å; E79-V82 PolarHBondContact O-N 2.93Å; E79-Q83 PolarHBondContact O-N 3.28Å |
| 80 | S | 97.6 | Very high | 98 | Very high | 55 Ų | 55 | 65.8 Ų | 65.8 | 39% | 0.385 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.8 | -31.9 | 177.7 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | P78 V84 | P78-S80 PolarHBondContact O-N 3.06Å; P78-S80 VanDerWaalsContact O-N 3.13Å; S80-V84 VanDerWaalsContact O-CG2 3.27Å; S80-V84 WeakPolarHBondContact O-CG2 3.44Å; S80-V84 PolarHBondContact O-N 3.38Å |
| 81 | R | 97.9 | Very high | 98 | Very high | 65 Ų | 65 | 60.6 Ų | 60.6 | 25% | 0.245 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.7 | -38.4 | 176.1 | -61.2 | -61.6 | 172.3 | 138.7 | -6.1 | 111 | E41 T43 F45 L77 P78 E79 W85 | E41-R81 PolarHBondContact O-NH1 3.47Å; E41-R81 PolarHBondContact O-NH2 3.37Å; T43-R81 VanDerWaalsContact OG1-CD 3.23Å; T43-R81 WeakPolarHBondContact OG1-CD 3.4Å; T43-R81 PolarHBondContact OG1-NE 2.99Å; T43-R81 PolarHBondContact OG1-NH1 3.49Å; F45-R81 HydrophobicContact CZ-CB 4.4Å; L77-R81 HydrophobicContact CB-CB 4.47Å; P78-R81 HydrophobicContact CB-CG 4.3Å; P78-R81 HydrophobicContact CG-CG 4.26Å; P78-R81 WeakPolarHBondContact O-CB 3.33Å; P78-R81 PolarHBondContact O-N 3.34Å; E79-R81 PolarHBondContact O-N 3.36Å; E79-R81 VanDerWaalsContact O-N 3.13Å; R81-W85 WeakPolarHBondContact O-CB 3.43Å; R81-W85 PolarHBondContact O-N 3.42Å |
| 82 | V | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.9 | -48.3 | 172 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | L53 R68 A72 I75 E79 V84 W85 F86 | L53-V82 HydrophobicContact CD2-CG1 3.85Å; L53-V82 HydrophobicContact CD2-CG2 4.34Å; R68-V82 HydrophobicContact CB-CG1 4.15Å; R68-V82 HydrophobicContact CG-CG1 4.15Å; A72-V82 HydrophobicContact CB-CG2 3.9Å; I75-V82 HydrophobicContact CD1-CG2 3.99Å; E79-V82 CarbonylContact O-C 3.58Å; E79-V82 WeakPolarHBondContact O-CA 3.35Å; E79-V82 VanDerWaalsContact O-CB 3.31Å; E79-V82 WeakPolarHBondContact O-CB 3.36Å; E79-V82 PolarHBondContact O-N 2.93Å; V82-V84 PolarHBondContact O-N 3.1Å; V82-W85 WeakPolarHBondContact O-CB 3.15Å; V82-W85 PolarHBondContact O-N 3.1Å; V82-W85 VanDerWaalsContact O-N 3.13Å; V82-F86 HydrophobicContact CG1-CD2 3.72Å; V82-F86 HydrophobicContact CG1-CE2 3.71Å; V82-F86 WeakPolarHBondContact O-CD2 3.31Å; V82-F86 PolarHBondContact O-N 3.14Å |
| 83 | Q | 98.3 | Very high | 97.7 | Very high | 84 Ų | 84 | 68.5 Ų | 68.5 | 39% | 0.393 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -55.5 | -49.1 | 177.2 | -171 | -165.5 | 6.3 | 0 | 0 | 112.2 | E79 W85 F86 K87 | E79-Q83 PolarHBondContact O-N 3.28Å; Q83-W85 VanDerWaalsContact C-N 3.34Å; Q83-W85 PolarHBondContact O-N 3.5Å; Q83-F86 PolarHBondContact O-N 3.47Å; Q83-K87 WeakPolarHBondContact O-CG 3.38Å; Q83-K87 PolarHBondContact O-N 2.81Å |
| 84 | V | 98.1 | Very high | 97.6 | Very high | 70 Ų | 70 | 68 Ų | 68 | 42% | 0.424 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 177.9 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | S80 V82 F86 K87 N88 | S80-V84 VanDerWaalsContact O-CG2 3.27Å; S80-V84 WeakPolarHBondContact O-CG2 3.44Å; S80-V84 PolarHBondContact O-N 3.38Å; V82-V84 PolarHBondContact O-N 3.1Å; V84-F86 PolarHBondContact O-N 3.32Å; V84-K87 PolarHBondContact O-N 3.41Å; V84-N88 WeakPolarHBondContact O-CB 3.42Å; V84-N88 VanDerWaalsContact O-CG 3.28Å; V84-N88 PolarHBondContact O-N 3.39Å |
| 85 | W | 98.1 | Very high | 97.4 | Very high | 25 Ų | 25 | 67.3 Ų | 67.3 | 10% | 0.095 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.1 | -47.7 | 175.8 | -173.7 | 99.7 | 0 | 0 | 0 | 111.5 | F45 L50 L53 E54 F57 R81 V82 Q83 K87 N88 R89 | F45-W85 AromaticContact CD2-CD1 3.99Å; F45-W85 HydrophobicContact CE2-CB 4.48Å; F45-W85 AromaticContact CE2-CD1 3.71Å; F45-W85 HydrophobicContact CE2-CG 4.49Å; F45-W85 HydrophobicContact CZ-CB 4Å; F45-W85 AromaticContact CZ-CD1 3.85Å; F45-W85 HydrophobicContact CZ-CG 4.28Å; L50-W85 HydrophobicContact CD2-CZ2 4.34Å; L53-W85 HydrophobicContact CB-CD2 4.06Å; L53-W85 HydrophobicContact CB-CE3 3.95Å; L53-W85 HydrophobicContact CB-CH2 3.64Å; L53-W85 HydrophobicContact CB-CZ2 3.73Å; L53-W85 HydrophobicContact CB-CZ3 3.75Å; L53-W85 HydrophobicContact CD1-CD2 3.89Å; L53-W85 HydrophobicContact CD1-CE3 4.44Å; L53-W85 HydrophobicContact CD1-CG 3.93Å; L53-W85 HydrophobicContact CD2-CD2 4.47Å; L53-W85 HydrophobicContact CD2-CE3 4.26Å; L53-W85 HydrophobicContact CG-CD2 4.38Å; L53-W85 HydrophobicContact CG-CE3 4.46Å; E54-W85 HydrophobicContact CG-CH2 3.85Å; E54-W85 HydrophobicContact CG-CZ2 3.86Å; F57-W85 HydrophobicContact CB-CH2 4.42Å; F57-W85 HydrophobicContact CB-CZ3 4.29Å; F57-W85 HydrophobicContact CD2-CZ3 4.45Å; R81-W85 WeakPolarHBondContact O-CB 3.43Å; R81-W85 PolarHBondContact O-N 3.42Å; V82-W85 WeakPolarHBondContact O-CB 3.15Å; V82-W85 PolarHBondContact O-N 3.1Å; V82-W85 VanDerWaalsContact O-N 3.13Å; Q83-W85 VanDerWaalsContact C-N 3.34Å; Q83-W85 PolarHBondContact O-N 3.5Å; W85-K87 PolarHBondContact O-N 2.95Å; W85-N88 PolarHBondContact O-N 3.3Å; W85-R89 HydrophobicContact CE3-CB 4.19Å; W85-R89 HydrophobicContact CH2-CB 4.22Å; W85-R89 HydrophobicContact CH2-CG 3.93Å; W85-R89 HydrophobicContact CZ3-CB 3.98Å; W85-R89 HydrophobicContact CZ3-CG 4.04Å; W85-R89 WeakPolarHBondContact O-CB 3.31Å; W85-R89 PolarHBondContact O-N 3.39Å |
| 86 | F | 98.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 72.3 Ų | 72.3 | 1% | 0.009 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 177.6 | -88.9 | -88.7 | 0 | 0 | 0 | 112.4 | L53 L56 F57 P63 V82 Q83 V84 R89 R90 | L53-F86 HydrophobicContact CD2-CE2 3.93Å; L56-F86 HydrophobicContact CB-CZ 4.15Å; L56-F86 HydrophobicContact CD2-CE2 4.23Å; L56-F86 HydrophobicContact CD2-CZ 3.8Å; L56-F86 HydrophobicContact CG-CZ 3.98Å; F57-F86 HydrophobicContact CB-CE1 3.99Å; F57-F86 AromaticContact CD2-CD1 3.79Å; F57-F86 HydrophobicContact CD2-CD1 3.79Å; F57-F86 AromaticContact CD2-CE1 3.75Å; F57-F86 HydrophobicContact CD2-CE1 3.75Å; F57-F86 HydrophobicContact CE2-CD1 4.49Å; F57-F86 HydrophobicContact CG-CE1 4.37Å; P63-F86 VanDerWaalsContact CD-CD1 3.46Å; P63-F86 HydrophobicContact CG-CD1 3.65Å; P63-F86 HydrophobicContact CG-CD2 3.98Å; P63-F86 HydrophobicContact CG-CE1 3.57Å; P63-F86 HydrophobicContact CG-CE2 3.92Å; P63-F86 HydrophobicContact CG-CG 3.87Å; P63-F86 HydrophobicContact CG-CZ 3.73Å; V82-F86 HydrophobicContact CG1-CD2 3.72Å; V82-F86 HydrophobicContact CG1-CE2 3.71Å; V82-F86 WeakPolarHBondContact O-CD2 3.31Å; V82-F86 PolarHBondContact O-N 3.14Å; Q83-F86 PolarHBondContact O-N 3.47Å; V84-F86 PolarHBondContact O-N 3.32Å; F86-R89 PolarHBondContact O-N 3.44Å; F86-R90 WeakPolarHBondContact O-CG 3.3Å; F86-R90 PolarHBondContact O-N 2.74Å |
| 87 | K | 98.3 | Very high | 96.7 | Very high | 115 Ų | 115 | 70.6 Ų | 70.6 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59 | -48.6 | 173.1 | -74.4 | 177.9 | 66.4 | 174.3 | 0 | 111.4 | Q83 V84 W85 R90 A91 | Q83-K87 WeakPolarHBondContact O-CG 3.38Å; Q83-K87 PolarHBondContact O-N 2.81Å; V84-K87 PolarHBondContact O-N 3.41Å; W85-K87 PolarHBondContact O-N 2.95Å; K87-R90 PolarHBondContact O-N 2.84Å; K87-A91 PolarHBondContact O-N 3.11Å |
| 88 | N | 98 | Very high | 96.2 | Very high | 102 Ų | 102 | 75 Ų | 75 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.6 | -40.2 | 179.7 | -69.9 | -11.9 | 0 | 0 | 0 | 111.6 | V84 W85 A91 K92 | V84-N88 WeakPolarHBondContact O-CB 3.42Å; V84-N88 VanDerWaalsContact O-CG 3.28Å; V84-N88 PolarHBondContact O-N 3.39Å; W85-N88 PolarHBondContact O-N 3.3Å; N88-A91 WeakPolarHBondContact O-CB 3.39Å; N88-A91 PolarHBondContact O-N 3.45Å; N88-K92 PolarHBondContact O-N 2.96Å |
| 89 | R | 97.9 | Very high | 95.6 | Very high | 83 Ų | 83 | 78.6 Ų | 78.6 | 31% | 0.313 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 178.1 | -172.5 | 64.3 | -176.5 | -157.5 | -1.8 | 111.7 | E54 F57 W85 F86 A91 K92 C93 | E54-R89 IonicContact OE1-CZ 3.29Å; E54-R89 IonicContact OE1-NH1 3.7Å; E54-R89 PolarHBondContact OE1-NH1 3.3Å; E54-R89 IonicContact OE1-NH2 3Å; E54-R89 PolarHBondContact OE1-NH2 3.41Å; F57-R89 HydrophobicContact CD1-CG 4.28Å; F57-R89 HydrophobicContact CD2-CB 4.3Å; F57-R89 HydrophobicContact CD2-CG 3.7Å; F57-R89 HydrophobicContact CE1-CG 4.17Å; F57-R89 HydrophobicContact CE2-CB 4.1Å; F57-R89 HydrophobicContact CE2-CG 3.58Å; F57-R89 HydrophobicContact CG-CG 4.06Å; F57-R89 HydrophobicContact CZ-CG 3.83Å; W85-R89 HydrophobicContact CE3-CB 4.19Å; W85-R89 HydrophobicContact CH2-CB 4.22Å; W85-R89 HydrophobicContact CH2-CG 3.93Å; W85-R89 HydrophobicContact CZ3-CB 3.98Å; W85-R89 HydrophobicContact CZ3-CG 4.04Å; W85-R89 WeakPolarHBondContact O-CB 3.31Å; W85-R89 PolarHBondContact O-N 3.39Å; F86-R89 PolarHBondContact O-N 3.44Å; R89-A91 VanDerWaalsContact C-N 3.35Å; R89-A91 PolarHBondContact O-N 3.5Å; R89-K92 PolarHBondContact O-N 3.21Å; R89-C93 PolarHBondContact O-N 2.99Å; R89-C93 VanDerWaalsContact O-N 3.1Å |
| 90 | R | 97.9 | Very high | 94.7 | Very high | 45 Ų | 45 | 82.9 Ų | 82.9 | 17% | 0.17 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 174.4 | -70.5 | -167.4 | -64.3 | -96.1 | 5.5 | 112.5 | F57 R61 Y62 F86 K87 C93 R94 | F57-R90 HydrophobicContact CE2-CG 3.88Å; F57-R90 HydrophobicContact CZ-CG 4.39Å; R61-R90 WeakPolarHBondContact O-CD 3.27Å; R61-R90 PolarHBondContact O-NH1 2.79Å; Y62-R90 VanDerWaalsContact CE1-CD 3.42Å; Y62-R90 VanDerWaalsContact CE1-NE 3.28Å; F86-R90 WeakPolarHBondContact O-CG 3.3Å; F86-R90 PolarHBondContact O-N 2.74Å; K87-R90 PolarHBondContact O-N 2.84Å; R90-C93 PolarHBondContact O-N 3.03Å; R90-R94 PolarHBondContact O-N 3.02Å; R90-R94 VanDerWaalsContact O-N 3.1Å |
| 91 | A | 97.8 | Very high | 93.6 | Very high | 27 Ų | 27 | 87.3 Ų | 87.3 | 22% | 0.223 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K87 N88 R89 C93 R94 Q95 | K87-A91 PolarHBondContact O-N 3.11Å; N88-A91 WeakPolarHBondContact O-CB 3.39Å; N88-A91 PolarHBondContact O-N 3.45Å; R89-A91 VanDerWaalsContact C-N 3.35Å; R89-A91 PolarHBondContact O-N 3.5Å; A91-C93 VanDerWaalsContact C-N 3.33Å; A91-C93 PolarHBondContact O-N 3.17Å; A91-R94 PolarHBondContact O-N 3.49Å; A91-Q95 WeakPolarHBondContact O-CG 3.4Å; A91-Q95 PolarHBondContact O-N 3.38Å |
| 92 | K | 96.5 | Very high | 91.9 | Very high | 130 Ų | 130 | 90 Ų | 90 | 57% | 0.565 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.3 | -41.8 | 176.4 | -171.3 | 178.4 | 179.9 | -177.4 | 0 | 112.1 | N88 R89 R94 Q95 Q96 | N88-K92 PolarHBondContact O-N 2.96Å; R89-K92 PolarHBondContact O-N 3.21Å; K92-R94 PolarHBondContact O-N 2.98Å; K92-Q95 PolarHBondContact O-N 3Å; K92-Q96 WeakPolarHBondContact O-CB 3.5Å; K92-Q96 PolarHBondContact O-N 3.46Å |
| 93 | C | 94 | Very high | 89.9 | Confident | 54 Ų | 54 | 92.7 Ų | 92.7 | 37% | 0.365 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.2 | -45.8 | 176.9 | -179.5 | 0 | 0 | 0 | 0 | 112 | R89 R90 A91 Q95 Q96 Q97 | R89-C93 PolarHBondContact O-N 2.99Å; R89-C93 VanDerWaalsContact O-N 3.1Å; R90-C93 PolarHBondContact O-N 3.03Å; A91-C93 VanDerWaalsContact C-N 3.33Å; A91-C93 PolarHBondContact O-N 3.17Å; C93-Q95 PolarHBondContact O-N 3.01Å; C93-Q96 PolarHBondContact O-N 3.29Å; C93-Q97 PolarHBondContact O-N 3.24Å |
| 94 | R | 95.6 | Very high | 87.7 | Confident | 127 Ų | 127 | 92.2 Ų | 92.2 | 48% | 0.479 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 175.5 | -68.9 | -167.6 | -58.3 | -87.9 | 1 | 112.8 | R90 A91 K92 Q97 Q98 | R90-R94 PolarHBondContact O-N 3.02Å; R90-R94 VanDerWaalsContact O-N 3.1Å; A91-R94 PolarHBondContact O-N 3.49Å; K92-R94 PolarHBondContact O-N 2.98Å; R94-Q97 PolarHBondContact O-N 2.95Å; R94-Q98 WeakPolarHBondContact O-CG 3.48Å; R94-Q98 PolarHBondContact O-N 3.31Å |
| 95 | Q | 93.8 | Very high | 85.5 | Confident | 125 Ų | 125 | 96.1 Ų | 96.1 | 58% | 0.584 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.4 | -42.5 | 176.9 | -71.9 | 171.3 | 9.6 | 0 | 0 | 111.7 | A91 K92 C93 Q97 Q98 Q99 | A91-Q95 WeakPolarHBondContact O-CG 3.4Å; A91-Q95 PolarHBondContact O-N 3.38Å; K92-Q95 PolarHBondContact O-N 3Å; C93-Q95 PolarHBondContact O-N 3.01Å; Q95-Q97 VanDerWaalsContact C-N 3.33Å; Q95-Q97 PolarHBondContact O-N 3.21Å; Q95-Q98 PolarHBondContact O-N 3.43Å; Q95-Q99 WeakPolarHBondContact O-CB 3.38Å; Q95-Q99 PolarHBondContact O-N 3.37Å |
| 96 | Q | 91.5 | Very high | 83.1 | Confident | 111 Ų | 111 | 101.8 Ų | 101.8 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 177.6 | -170.7 | 174.5 | 17.2 | 0 | 0 | 111.7 | K92 C93 Q99 Q100 | K92-Q96 WeakPolarHBondContact O-CB 3.5Å; K92-Q96 PolarHBondContact O-N 3.46Å; C93-Q96 PolarHBondContact O-N 3.29Å; Q96-Q99 PolarHBondContact O-N 3.24Å; Q96-Q100 WeakPolarHBondContact O-CG 3.4Å; Q96-Q100 PolarHBondContact O-N 2.76Å |
| 97 | Q | 88.9 | Confident | 80.7 | Confident | 108 Ų | 108 | 111 Ų | 111 | 51% | 0.505 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.7 | -41.7 | 176.7 | -167.5 | 172.7 | 25.7 | 0 | 0 | 112.2 | C93 R94 Q95 Q99 Q100 Q101 | C93-Q97 PolarHBondContact O-N 3.24Å; R94-Q97 PolarHBondContact O-N 2.95Å; Q95-Q97 VanDerWaalsContact C-N 3.33Å; Q95-Q97 PolarHBondContact O-N 3.21Å; Q97-Q99 VanDerWaalsContact C-N 3.32Å; Q97-Q99 PolarHBondContact O-N 3.02Å; Q97-Q100 PolarHBondContact O-N 2.74Å; Q97-Q101 WeakPolarHBondContact O-CG 3.47Å; Q97-Q101 PolarHBondContact O-N 3.49Å |
| 98 | Q | 88.1 | Confident | 78.4 | Confident | 123 Ų | 123 | 110.6 Ų | 110.6 | 58% | 0.575 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.6 | -40.1 | 174.3 | -74 | 173.1 | 18.1 | 0 | 0 | 111.7 | R94 Q95 Q100 Q101 N102 | R94-Q98 WeakPolarHBondContact O-CG 3.48Å; R94-Q98 PolarHBondContact O-N 3.31Å; Q95-Q98 PolarHBondContact O-N 3.43Å; Q98-Q100 VanDerWaalsContact C-N 3.32Å; Q98-Q100 PolarHBondContact O-N 3.34Å; Q98-Q101 PolarHBondContact O-N 3.37Å; Q98-N102 WeakPolarHBondContact O-CB 3.41Å; Q98-N102 PolarHBondContact O-N 2.99Å |
| 99 | Q | 84.3 | Confident | 76.2 | Confident | 154 Ų | 154 | 116.8 Ų | 116.8 | 72% | 0.72 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.6 | -31.8 | 178.7 | -162.3 | 165.8 | 25.4 | 0 | 0 | 112.5 | Q95 Q96 Q97 G103 | Q95-Q99 WeakPolarHBondContact O-CB 3.38Å; Q95-Q99 PolarHBondContact O-N 3.37Å; Q96-Q99 PolarHBondContact O-N 3.24Å; Q97-Q99 VanDerWaalsContact C-N 3.32Å; Q97-Q99 PolarHBondContact O-N 3.02Å; Q99-G103 WeakPolarHBondContact O-CA 3.4Å; Q99-G103 PolarHBondContact O-N 3.49Å |
| 100 | Q | 80.2 | Confident | 73.7 | Confident | 135 Ų | 135 | 118.3 Ų | 118.3 | 63% | 0.631 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -70.2 | -41 | 171.8 | -74.3 | 172.5 | 1.9 | 0 | 0 | 111.9 | Q96 Q97 Q98 G103 | Q96-Q100 WeakPolarHBondContact O-CG 3.4Å; Q96-Q100 PolarHBondContact O-N 2.76Å; Q97-Q100 PolarHBondContact O-N 2.74Å; Q98-Q100 VanDerWaalsContact C-N 3.32Å; Q98-Q100 PolarHBondContact O-N 3.34Å; Q100-G103 PolarHBondContact O-N 2.93Å |
| 101 | Q | 74.3 | Confident | 71.3 | Confident | 148 Ų | 148 | 120 Ų | 120 | 69% | 0.692 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69 | -34.9 | 177.3 | -71.6 | 179.2 | -2.8 | 0 | 0 | 112.7 | Q97 Q98 | Q97-Q101 WeakPolarHBondContact O-CG 3.47Å; Q97-Q101 PolarHBondContact O-N 3.49Å; Q98-Q101 PolarHBondContact O-N 3.37Å |
| 102 | N | 62.6 | Low | 68.7 | Low | 123 Ų | 123 | 128.7 Ų | 128.7 | 66% | 0.658 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -88.7 | -2.2 | 177 | -123.9 | 62.1 | 0 | 0 | 0 | 113.6 | Q98 G104 Q105 | Q98-N102 WeakPolarHBondContact O-CB 3.41Å; Q98-N102 PolarHBondContact O-N 2.99Å; N102-G104 VanDerWaalsContact C-N 3.27Å; N102-G104 PolarHBondContact O-N 3.13Å; N102-Q105 PolarHBondContact O-N 2.99Å |
| 103 | G | 54.6 | Low | 66.1 | Low | 55 Ų | 55 | 131.5 Ų | 131.5 | 57% | 0.567 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -76.5 | -3.8 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q99 Q100 Q105 | Q99-G103 WeakPolarHBondContact O-CA 3.4Å; Q99-G103 PolarHBondContact O-N 3.49Å; Q100-G103 PolarHBondContact O-N 2.93Å; G103-Q105 VanDerWaalsContact C-N 3.31Å |
| 104 | G | 52.4 | Low | 63.7 | Low | 75 Ų | 75 | 138.6 Ų | 138.6 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -79.3 | -8.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | N102 | N102-G104 VanDerWaalsContact C-N 3.27Å; N102-G104 PolarHBondContact O-N 3.13Å |
| 105 | Q | 51.7 | Low | 61 | Low | 152 Ų | 152 | 137.7 Ų | 137.7 | 71% | 0.71 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -112.6 | 87.1 | 175.9 | -62.4 | -169 | -11.9 | 0 | 0 | 109.5 | N102 G103 K107 | N102-Q105 PolarHBondContact O-N 2.99Å; G103-Q105 VanDerWaalsContact C-N 3.31Å; Q105-K107 PolarHBondContact O-N 2.95Å |
| 106 | N | 47.6 | Very low | 58.5 | Low | 144 Ų | 144 | 136.9 Ų | 136.9 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | trans | -61.3 | 76.1 | 172.3 | -149.1 | -12.1 | 0 | 0 | 0 | 110.1 | V108 | N106-V108 PolarHBondContact O-N 2.91Å; N106-V108 VanDerWaalsContact O-N 3.12Å; N106-V108 WeakPolarHBondContact OD1-CG2 3.27Å | ||
| 107 | K | 49.1 | Very low | 56.4 | Low | 194 Ų | 194 | 137.4 Ų | 137.4 | 84% | 0.843 | 73% | 0.729 | S | S | * | * | trans | -79.8 | 83.4 | 157.8 | -70.9 | -66.4 | -175.9 | -177 | 0 | 106.3 | Q105 R109 | Q105-K107 PolarHBondContact O-N 2.95Å; K107-R109 VanDerWaalsContact C-N 3.33Å; K107-R109 PolarHBondContact O-N 2.86Å | ||
| 108 | V | 48.8 | Very low | 54 | Low | 108 Ų | 108 | 137 Ų | 137 | 66% | 0.655 | 74% | 0.744 | S | S | * | * | trans | -49.7 | 101.7 | 164.2 | 179.7 | 0 | 0 | 0 | 0 | 107.2 | N106 | N106-V108 PolarHBondContact O-N 2.91Å; N106-V108 VanDerWaalsContact O-N 3.12Å; N106-V108 WeakPolarHBondContact OD1-CG2 3.27Å | ||
| 109 | R | 53 | Low | 51.7 | Low | 231 Ų | 231 | 143 Ų | 143 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | trans | -58.5 | 122.1 | 159.9 | 178.8 | 174.9 | 159.8 | -176.1 | -5.5 | 105.4 | K107 A111 | K107-R109 VanDerWaalsContact C-N 3.33Å; K107-R109 PolarHBondContact O-N 2.86Å; R109-A111 PolarHBondContact O-N 3.13Å | ||
| 110 | P | 45.3 | Very low | 49.3 | Very low | 115 Ų | 115 | 144.3 Ų | 144.3 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | trans | -64.9 | 110.4 | -175.3 | 25.1 | -30.8 | 0 | 0 | 0 | 107.9 | K112 | P110-K112 PolarHBondContact O-N 2.94Š| ||
| 111 | A | 47.9 | Very low | 47.4 | Very low | 81 Ų | 81 | 142.5 Ų | 142.5 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | -64.4 | 106.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | R109 K113 | R109-A111 PolarHBondContact O-N 3.13Å; A111-K113 PolarHBondContact O-N 2.86Å | ||
| 112 | K | 43.7 | Very low | 45.6 | Very low | 210 Ų | 210 | 141.3 Ų | 141.3 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | trans | -65.5 | 81.4 | 167.3 | -135.6 | 176 | -173.4 | 174.4 | 0 | 106.8 | P110 K114 | P110-K112 PolarHBondContact O-N 2.94Å; K112-K114 PolarHBondContact O-N 3.13Å; K112-K114 VanDerWaalsContact O-N 3.11Å | ||
| 113 | K | 41.7 | Very low | 44.5 | Very low | 189 Ų | 189 | 141.1 Ų | 141.1 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -66.5 | 103.7 | 166.2 | -71.1 | -173.3 | 178.7 | -177.6 | 0 | 106 | A111 S115 | A111-K113 PolarHBondContact O-N 2.86Å; K113-S115 VanDerWaalsContact C-N 3.32Å; K113-S115 PolarHBondContact O-N 3.17Å; K113-S115 VanDerWaalsContact O-N 3.1Å | ||
| 114 | K | 43.8 | Very low | 43.6 | Very low | 202 Ų | 202 | 148.1 Ų | 148.1 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | trans | -67.5 | 100.6 | 156.4 | -97.8 | -177.8 | 173.6 | -175.4 | 0 | 105.8 | K112 S116 | K112-K114 PolarHBondContact O-N 3.13Å; K112-K114 VanDerWaalsContact O-N 3.11Å; K114-S116 PolarHBondContact O-N 3.22Å | ||
| 115 | S | 38.4 | Very low | 43 | Very low | 108 Ų | 108 | 150.5 Ų | 150.5 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | trans | -66.9 | 111.2 | 162.2 | 53.7 | 0 | 0 | 0 | 0 | 107.7 | K113 | K113-S115 VanDerWaalsContact C-N 3.32Å; K113-S115 PolarHBondContact O-N 3.17Å; K113-S115 VanDerWaalsContact O-N 3.1Å | ||
| 116 | S | 41.1 | Very low | 42.1 | Very low | 108 Ų | 108 | 146.9 Ų | 146.9 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 128.6 | 158.5 | -58.9 | 0 | 0 | 0 | 0 | 107.5 | K114 | K114-S116 PolarHBondContact O-N 3.22Š|
| 117 | P | 46.3 | Very low | 41.5 | Very low | 123 Ų | 123 | 145 Ų | 145 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 127.7 | 166.9 | 29 | -26.8 | 0 | 0 | 0 | 108.8 | ||
| 118 | A | 40.3 | Very low | 40.9 | Very low | 100 Ų | 100 | 142.2 Ų | 142.2 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 133.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 119 | R | 39 | Very low | 40.3 | Very low | 248 Ų | 248 | 140.7 Ų | 140.7 | 94% | 0.936 | 83% | 0.834 | S | S | * | * | trans | -104.2 | 117.4 | 167.6 | -169.1 | 175.3 | 179.3 | -172.6 | -1 | 107.6 | ||||
| 120 | E | 33.9 | Very low | 39.6 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 85% | 0.846 | 83% | 0.833 | S | S | * | * | trans | -63.5 | 147.9 | -177 | -63.9 | -174 | 119 | 0 | 0 | 112.6 | ||||
| 121 | A | 40.3 | Very low | 39.2 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 80% | 0.802 | 84% | 0.84 | S | S | * | * | trans | -75.4 | 138.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 122 | S | 37 | Very low | 39 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 87% | 0.867 | 84% | 0.844 | S | S | * | * | trans | -148.3 | 127.1 | 157.4 | -82 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 123 | S | 39.1 | Very low | 39.7 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 83% | 0.832 | 84% | 0.837 | S | S | * | * | trans | -80.2 | 143.1 | 176.8 | -56.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 124 | E | 35.4 | Very low | 40.4 | Very low | 201 Ų | 201 | 136.9 Ų | 136.9 | 94% | 0.939 | 84% | 0.835 | S | S | * | * | trans | -160.4 | 146.5 | 132.8 | -128.2 | 177.9 | 104.2 | 0 | 0 | 111.6 | ||||
| 125 | S | 39.1 | Very low | 40 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 88% | 0.881 | 83% | 0.83 | S | S | * | * | trans | -81.3 | 159.7 | -169 | -77.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 126 | G | 33 | Very low | 40 | Very low | 76 Ų | 76 | 132.7 Ų | 132.7 | 78% | 0.784 | 83% | 0.831 | S | S | * | * | trans | 178.7 | 72.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 127 | A | 36.5 | Very low | 39.9 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | trans | 39.7 | 128.6 | 146.6 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 128 | S | 36 | Very low | 39.5 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 95% | 0.951 | 83% | 0.825 | S | S | * | * | trans | 93.5 | 125.4 | 133 | -144.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 129 | G | 34.9 | Very low | 39.7 | Very low | 76 Ų | 76 | 133.9 Ų | 133.9 | 78% | 0.784 | 83% | 0.825 | S | S | * | * | trans | 150.1 | 75.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 130 | Q | 39.2 | Very low | 39.9 | Very low | 182 Ų | 182 | 127.6 Ų | 127.6 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | trans | -65.7 | 139.4 | 177.9 | -165.5 | 151.8 | 13.4 | 0 | 0 | 112.5 | ||||
| 131 | F | 36.5 | Very low | 39.9 | Very low | 204 Ų | 204 | 125 Ų | 125 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | trans | 175.1 | 121.7 | 133.4 | -105.9 | -81.5 | 0 | 0 | 0 | 111.8 | ||||
| 132 | T | 43.1 | Very low | 40 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 76% | 0.761 | 81% | 0.812 | S | S | * | * | trans | -135 | 165.8 | 159.1 | 52.6 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 133 | P | 59 | Low | 40 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | cis | -131.9 | -151.8 | -1.1 | 38.6 | -15.3 | 0 | 0 | 0 | 109.6 | ||||
| 134 | P | 55.9 | Low | 40.2 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | cis | -136.5 | 177.9 | -0.8 | 38.8 | -16.6 | 0 | 0 | 0 | 117.9 | ||||
| 135 | S | 36.7 | Very low | 40.5 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -49.3 | 145 | -179.9 | -52 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 136 | S | 38.2 | Very low | 40.6 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -168.6 | 117.4 | 133.7 | 10.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 137 | T | 38.4 | Very low | 41.2 | Very low | 125 Ų | 125 | 125.3 Ų | 125.3 | 77% | 0.767 | 80% | 0.8 | S | S | * | * | 47.6 | 103.9 | 123.9 | -48.1 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 138 | S | 38.9 | Very low | 41.8 | Very low | 95 Ų | 95 | 125.7 Ų | 125.7 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | trans | 68.2 | 133 | 132.4 | 73.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 139 | V | 43.7 | Very low | 42.4 | Very low | 135 Ų | 135 | 125.9 Ų | 125.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | 73.6 | 133.7 | 163.9 | -55.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 140 | P | 43.9 | Very low | 42.6 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | -140.2 | 149.3 | 93 | 17.4 | 6.3 | 0 | 0 | 0 | 116.8 | |||||
| 141 | T | 34 | Very low | 43.4 | Very low | 127 Ų | 127 | 126.1 Ų | 126.1 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | 71.3 | 109.3 | 130.9 | -45.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 142 | I | 41.8 | Very low | 43.8 | Very low | 153 Ų | 153 | 126.9 Ų | 126.9 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -64.9 | 131.1 | 160.4 | -63.6 | 162.7 | 0 | 0 | 0 | 109.5 | ||||
| 143 | S | 37.3 | Very low | 43.6 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -150.2 | 110.2 | 145.2 | -78.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 144 | T | 43 | Very low | 42.8 | Very low | 131 Ų | 131 | 125.6 Ų | 125.6 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -48.9 | 133.1 | 169.9 | 16.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 145 | S | 40.8 | Very low | 42.3 | Very low | 120 Ų | 120 | 124.3 Ų | 124.3 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | trans | -164.4 | 104.1 | 135.5 | 43.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 146 | T | 42.7 | Very low | 42.5 | Very low | 140 Ų | 140 | 125 Ų | 125 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | trans | -69.1 | 138.6 | 161.5 | 35.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 147 | A | 45.5 | Very low | 42.8 | Very low | 93 Ų | 93 | 127.5 Ų | 127.5 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | 150 | 169.7 | 134.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 148 | P | 49 | Very low | 43 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | -117.5 | 147 | -96.3 | 23.7 | -3.2 | 0 | 0 | 0 | 113.1 | S150 | P148-S150 PolarHBondContact O-N 3.28Š| |||
| 149 | V | 47.2 | Very low | 43.5 | Very low | 139 Ų | 139 | 127 Ų | 127 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | trans | -66.2 | 106.1 | 169 | -80.4 | 0 | 0 | 0 | 0 | 110 | I151 | V149-I151 PolarHBondContact O-N 2.94Å; V149-I151 VanDerWaalsContact O-N 3.17Å | ||
| 150 | S | 40.7 | Very low | 43.5 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -72 | 102 | 175.8 | -66.2 | 0 | 0 | 0 | 0 | 109.9 | P148 W152 | P148-S150 PolarHBondContact O-N 3.28Å; S150-W152 VanDerWaalsContact C-N 3.25Å; S150-W152 PolarHBondContact O-N 2.76Å | ||
| 151 | I | 55.4 | Low | 43.2 | Very low | 159 Ų | 159 | 127.7 Ų | 127.7 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | trans | -85.5 | 68.2 | 166.9 | -53.6 | 174.5 | 0 | 0 | 0 | 107.9 | V149 | V149-I151 PolarHBondContact O-N 2.94Å; V149-I151 VanDerWaalsContact O-N 3.17Å | ||
| 152 | W | 44.7 | Very low | 43.6 | Very low | 221 Ų | 221 | 129.1 Ų | 129.1 | 84% | 0.837 | 79% | 0.79 | S | S | * | * | trans | -173.3 | 107.1 | 157.4 | -163.7 | -92.8 | 0 | 0 | 0 | 108.5 | S150 | S150-W152 VanDerWaalsContact C-N 3.25Å; S150-W152 PolarHBondContact O-N 2.76Å | ||
| 153 | S | 37.8 | Very low | 44.2 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -132.6 | 115.4 | 163 | -83.4 | 0 | 0 | 0 | 0 | 107.4 | A155 | S153-A155 PolarHBondContact O-N 3.47Š| ||
| 154 | P | 43.7 | Very low | 44.5 | Very low | 103 Ų | 103 | 130 Ų | 130 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | trans | -81.3 | 108.3 | 168 | 31 | -25.1 | 0 | 0 | 0 | 107.3 | S156 | P154-S156 PolarHBondContact O-N 2.94Š| ||
| 155 | A | 45.3 | Very low | 44.4 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -65.7 | 125.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | S153 I157 | S153-A155 PolarHBondContact O-N 3.47Å; A155-I157 PolarHBondContact O-N 3.03Å | ||
| 156 | S | 39.6 | Very low | 44.4 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 88% | 0.881 | 79% | 0.787 | S | S | * | * | trans | -60.9 | 120.7 | 171.6 | -66.1 | 0 | 0 | 0 | 0 | 110.7 | P154 | P154-S156 PolarHBondContact O-N 2.94Š| ||
| 157 | I | 45.6 | Very low | 44.6 | Very low | 164 Ų | 164 | 127.7 Ų | 127.7 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | trans | -96.4 | 114.9 | 171.1 | -52.7 | 173.2 | 0 | 0 | 0 | 106.9 | A155 | A155-I157 PolarHBondContact O-N 3.03Š| ||
| 158 | S | 42.4 | Very low | 44.2 | Very low | 90 Ų | 90 | 128.4 Ų | 128.4 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 141.6 | 169.8 | -164.5 | 0 | 0 | 0 | 0 | 109.7 | ||
| 159 | P | 48.6 | Very low | 43.9 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 120.2 | -179.3 | 32.8 | -28.7 | 0 | 0 | 0 | 109.9 | ||
| 160 | M | 43.7 | Very low | 43.8 | Very low | 169 Ų | 169 | 126.6 Ų | 126.6 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 134.9 | 165.5 | -73.2 | -71.8 | 148.7 | 0 | 0 | 108.6 | ||
| 161 | A | 39.3 | Very low | 44.1 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 137 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 162 | D | 42.1 | Very low | 43.4 | Very low | 156 Ų | 156 | 130 Ų | 130 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 142.9 | 167.8 | -78.2 | -49 | 0 | 0 | 0 | 111.2 | ||
| 163 | P | 54.5 | Low | 43 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 151.5 | 160 | 33.4 | -28.5 | 0 | 0 | 0 | 112.2 | ||
| 164 | L | 42.8 | Very low | 42.8 | Very low | 163 Ų | 163 | 128.2 Ų | 128.2 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 155.6 | -176.3 | -88.7 | 64.2 | 0 | 0 | 0 | 117.5 | ||
| 165 | S | 42.2 | Very low | 42.9 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | trans | 103.1 | 106 | 146.8 | -51 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 166 | T | 40.3 | Very low | 43.3 | Very low | 127 Ų | 127 | 133 Ų | 133 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | 177.3 | 116 | 102.6 | -66 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 167 | S | 45.6 | Very low | 43.4 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -67.5 | 132.9 | 173.2 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 168 | S | 38.5 | Very low | 43.1 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | -143.2 | 76 | 166.6 | -57.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 169 | S | 43.2 | Very low | 42.7 | Very low | 95 Ų | 95 | 138 Ų | 138 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | trans | -70.3 | 118.9 | 167.8 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 170 | C | 45.1 | Very low | 42.4 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -127.6 | 116.5 | 166.4 | 59 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 171 | M | 45.9 | Very low | 42 | Very low | 171 Ų | 171 | 137 Ų | 137 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | trans | 85.3 | 71.2 | 166.2 | -48.7 | -129.9 | 78 | 0 | 0 | 117.3 | ||||
| 172 | Q | 41.2 | Very low | 41.7 | Very low | 164 Ų | 164 | 137 Ų | 137 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | trans | -58.2 | 121 | 136.6 | -73.1 | 155.1 | -9.9 | 0 | 0 | 108.8 | ||||
| 173 | R | 36.7 | Very low | 41.5 | Very low | 192 Ų | 192 | 135.5 Ų | 135.5 | 73% | 0.725 | 77% | 0.769 | S | S | * | * | trans | -100.7 | 93.1 | 167.3 | -138.1 | 179.4 | -159.7 | -98.3 | -0.2 | 107.4 | Y175 | R173-Y175 PolarHBondContact NH1-OH 2.83Š| ||
| 174 | S | 32.6 | Very low | 40.4 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 125.4 | 170.2 | -55.8 | 0 | 0 | 0 | 0 | 109 | ||
| 175 | Y | 45 | Very low | 40.1 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -100 | 127.9 | 158.9 | -69.9 | -77.6 | 0 | 0 | 0 | 107.9 | R173 | R173-Y175 PolarHBondContact NH1-OH 2.83Š|
| 176 | P | 54.9 | Low | 39.8 | Very low | 117 Ų | 117 | 136 Ų | 136 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 131.9 | 171.4 | 28.5 | -30.8 | 0 | 0 | 0 | 110.2 | ||
| 177 | M | 41.9 | Very low | 39.6 | Very low | 183 Ų | 183 | 137.8 Ų | 137.8 | 90% | 0.901 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 118 | 175.5 | -162.3 | 60.8 | 173.9 | 0 | 0 | 109.1 | ||
| 178 | T | 39.5 | Very low | 39.1 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | trans | -95.2 | 111.3 | 171.5 | -51.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 179 | Y | 32.8 | Very low | 39 | Very low | 176 Ų | 176 | 140.8 Ų | 140.8 | 69% | 0.69 | 76% | 0.762 | S | S | * | * | trans | -83.7 | 125.5 | 176.3 | -173.7 | -111 | 0 | 0 | 0 | 109.1 | Q181 | Y179-Q181 HydrophobicContact CD1-CG 3.79Å; Y179-Q181 HydrophobicContact CE1-CG 3.28Å; Y179-Q181 PolarHBondContact OH-OE1 3.41Å | ||
| 180 | T | 43.1 | Very low | 38.6 | Very low | 133 Ų | 133 | 140 Ų | 140 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | trans | -121.8 | 117.3 | 166.9 | -36.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 181 | Q | 35.7 | Very low | 38.1 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 62% | 0.621 | 77% | 0.77 | S | S | * | * | trans | -77.6 | 140.2 | 179.9 | -66.6 | -95.9 | 62.4 | 0 | 0 | 111.1 | Y179 | Y179-Q181 HydrophobicContact CD1-CG 3.79Å; Y179-Q181 HydrophobicContact CE1-CG 3.28Å; Y179-Q181 PolarHBondContact OH-OE1 3.41Å | ||
| 182 | A | 31.9 | Very low | 38.2 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -150.6 | 115.4 | 143.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 183 | S | 37.4 | Very low | 38 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 88% | 0.881 | 77% | 0.774 | S | S | * | * | trans | -52.7 | 153.4 | 160.9 | -59.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 184 | G | 33 | Very low | 38.2 | Very low | 67 Ų | 67 | 130.1 Ų | 130.1 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | cis | 166.5 | 146.1 | 2.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 185 | Y | 34.9 | Very low | 38.9 | Very low | 239 Ų | 239 | 135.5 Ų | 135.5 | 94% | 0.937 | 78% | 0.778 | S | S | * | * | trans | -166.1 | 153.3 | 143.8 | -133.8 | -101.5 | 0 | 0 | 0 | 109.8 | ||||
| 186 | S | 36.9 | Very low | 38.6 | Very low | 94 Ų | 94 | 135.8 Ų | 135.8 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | trans | -94.4 | 169.8 | -154.1 | -176.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 187 | Q | 36.4 | Very low | 37.7 | Very low | 164 Ų | 164 | 134 Ų | 134 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | 77.3 | 133.7 | 156.7 | -71.2 | -103.1 | 28.6 | 0 | 0 | 117.6 | ||||
| 188 | G | 34 | Very low | 37.5 | Very low | 60 Ų | 60 | 128 Ų | 128 | 62% | 0.619 | 77% | 0.771 | S | S | * | * | cis | 179.9 | 162.5 | 6.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 189 | Y | 36.5 | Very low | 37.9 | Very low | 220 Ų | 220 | 131 Ų | 131 | 86% | 0.863 | 78% | 0.779 | S | S | * | * | trans | 45.5 | 118.3 | 158.1 | -67.2 | -86.8 | 0 | 0 | 0 | 122.2 | ||||
| 190 | G | 35 | Very low | 38.5 | Very low | 78 Ų | 78 | 129.4 Ų | 129.4 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | 110.6 | 128.6 | 110.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 191 | G | 34.7 | Very low | 38.8 | Very low | 80 Ų | 80 | 129 Ų | 129 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | 104.8 | 103.5 | 139.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 192 | S | 47.7 | Very low | 39.3 | Very low | 127 Ų | 127 | 125.8 Ų | 125.8 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -37.9 | 137.7 | 160.2 | -46.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 193 | T | 37.9 | Very low | 40 | Very low | 131 Ų | 131 | 126.1 Ų | 126.1 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -157.9 | 123.9 | 138.1 | -136.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 194 | S | 40.6 | Very low | 40.3 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | trans | 25.4 | 117 | 142.7 | 57.3 | 0 | 0 | 0 | 0 | 122.5 | F196 | S194-F196 PolarHBondContact O-N 2.81Š| ||
| 195 | Y | 46.9 | Very low | 40.9 | Very low | 217 Ų | 217 | 135.6 Ų | 135.6 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -33.9 | 107.6 | 142 | -169.6 | -93.5 | 0 | 0 | 0 | 115.6 | ||||
| 196 | F | 37.8 | Very low | 41.5 | Very low | 184 Ų | 184 | 130 Ų | 130 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | trans | -178.2 | 98.3 | 133.9 | -129.4 | -96.9 | 0 | 0 | 0 | 109.7 | S194 G198 | S194-F196 PolarHBondContact O-N 2.81Å; F196-G198 PolarHBondContact O-N 3.36Å | ||
| 197 | G | 36.7 | Very low | 42.2 | Very low | 79 Ų | 79 | 131 Ų | 131 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | trans | -89.5 | 85.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 198 | G | 38.7 | Very low | 42.7 | Very low | 57 Ų | 57 | 131.7 Ų | 131.7 | 59% | 0.588 | 79% | 0.793 | S | S | * | * | trans | -88.1 | 111.7 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | F196 D200 | F196-G198 PolarHBondContact O-N 3.36Å; G198-D200 PolarHBondContact O-N 3.31Å | ||
| 199 | M | 46.3 | Very low | 43 | Very low | 188 Ų | 188 | 135.7 Ų | 135.7 | 93% | 0.926 | 80% | 0.795 | S | S | * | * | trans | -87.4 | 92.4 | 168.5 | -105.9 | 87.9 | 88.6 | 0 | 0 | 108.3 | ||||
| 200 | D | 46.3 | Very low | 43.2 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -78.5 | 144.8 | 152.6 | 57.1 | 102.4 | 0 | 0 | 0 | 110.2 | G198 | G198-D200 PolarHBondContact O-N 3.31Š| ||
| 201 | C | 49.9 | Very low | 43.4 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | trans | -87.5 | 130.9 | -177.1 | 48.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 202 | G | 46.5 | Very low | 43.6 | Very low | 64 Ų | 64 | 141.2 Ų | 141.2 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | trans | 119.7 | 129.1 | 146.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 203 | S | 44.9 | Very low | 43.2 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | 114.1 | 140.4 | 154.1 | -47.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 204 | Y | 44 | Very low | 43.1 | Very low | 210 Ų | 210 | 137.9 Ų | 137.9 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | 91.8 | 69.8 | 169 | -56.6 | -81 | 0 | 0 | 0 | 117.7 | ||||
| 205 | L | 46.6 | Very low | 43.7 | Very low | 183 Ų | 183 | 139.6 Ų | 139.6 | 96% | 0.958 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 116.9 | 133.2 | -94.5 | 104.7 | 0 | 0 | 0 | 108.3 | ||
| 206 | T | 46.7 | Very low | 43.3 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 162.5 | 175.2 | -6.4 | 0 | 0 | 0 | 0 | 110.9 | ||
| 207 | P | 51.9 | Low | 43.5 | Very low | 114 Ų | 114 | 131 Ų | 131 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 152.2 | -162 | 35.1 | -28.2 | 0 | 0 | 0 | 113 | ||
| 208 | M | 46.2 | Very low | 44.1 | Very low | 179 Ų | 179 | 132.7 Ų | 132.7 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | -119.2 | 124.2 | 166.7 | -95.1 | -70.2 | 169.9 | 0 | 0 | 111 | ||||
| 209 | H | 40.3 | Very low | 44.3 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 66% | 0.662 | 80% | 0.8 | S | S | * | * | trans | -99.8 | 126.8 | -176 | 161.8 | -105.1 | 0 | 0 | 0 | 108.8 | ||||
| 210 | H | 41.2 | Very low | 44.3 | Very low | 180 Ų | 180 | 134 Ų | 134 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | trans | -137.1 | 132.5 | 162.6 | -77.4 | 148.2 | 0 | 0 | 0 | 112.3 | ||||
| 211 | Q | 40.3 | Very low | 45 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 64% | 0.64 | 79% | 0.789 | S | S | * | * | trans | -65.7 | 148.1 | -178.3 | -69.4 | -94.7 | 24.7 | 0 | 0 | 113.9 | ||||
| 212 | L | 37.8 | Very low | 44.3 | Very low | 178 Ų | 178 | 134.7 Ų | 134.7 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | trans | -164.7 | 125.9 | 139.8 | -100.3 | 142.5 | 0 | 0 | 0 | 110.5 | ||||
| 213 | S | 39.6 | Very low | 44 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -94.6 | 144.9 | 175.8 | -54.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 214 | G | 36.2 | Very low | 44.2 | Very low | 72 Ų | 72 | 137.7 Ų | 137.7 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 178.8 | 131.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 215 | P | 52.1 | Low | 44 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | -101.6 | 149.8 | -154 | 37.4 | -32.8 | 0 | 0 | 0 | 115.9 | ||||
| 216 | G | 39 | Very low | 43.6 | Very low | 70 Ų | 70 | 131.3 Ų | 131.3 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | 79.6 | 105.6 | 136.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 217 | T | 42.2 | Very low | 43.7 | Very low | 150 Ų | 150 | 132 Ų | 132 | 92% | 0.92 | 79% | 0.792 | S | S | * | * | -166.2 | 155.1 | 111.8 | -0.5 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 218 | T | 49.3 | Very low | 43.2 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | -91.7 | 164.2 | -156.5 | 51 | 0 | 0 | 0 | 0 | 114 | ||||
| 219 | L | 42.3 | Very low | 43.1 | Very low | 165 Ų | 165 | 129.9 Ų | 129.9 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | 105.7 | 98.3 | 152.7 | -51 | 178.5 | 0 | 0 | 0 | 117.3 | ||||
| 220 | S | 46.4 | Very low | 43.2 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -75.1 | -172.2 | 145.9 | -40.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 221 | P | 61.7 | Low | 43.2 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | cis | -140.4 | -162.3 | -2.9 | 26.9 | -0.4 | 0 | 0 | 0 | 113.9 | ||||
| 222 | M | 35.4 | Very low | 43 | Very low | 174 Ų | 174 | 128.7 Ų | 128.7 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | 96.7 | 130.6 | 157.7 | -50.7 | 173.8 | 112.1 | 0 | 0 | 113.5 | ||||
| 223 | S | 40.1 | Very low | 42.9 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | cis | -154.4 | 155.5 | 16.8 | -90.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 224 | T | 49.7 | Very low | 42.9 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 77% | 0.767 | 80% | 0.798 | S | S | * | * | trans | -48.8 | 145.2 | 164.3 | 50.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 225 | N | 39.3 | Very low | 44 | Very low | 171 Ų | 171 | 132 Ų | 132 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | trans | -148.7 | 116.9 | 137.3 | -101.9 | -12.3 | 0 | 0 | 0 | 111.1 | ||||
| 226 | A | 38.3 | Very low | 43.2 | Very low | 87 Ų | 87 | 130.7 Ų | 130.7 | 72% | 0.719 | 80% | 0.803 | S | S | * | * | trans | -91 | 157.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 227 | V | 47.4 | Very low | 43.4 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -46.1 | 144.7 | 174.2 | -66.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 228 | T | 43.4 | Very low | 43.1 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | trans | -158.5 | 124.6 | 147.3 | -12.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 229 | S | 43.8 | Very low | 42.5 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | -76.7 | 142.9 | 169.4 | 45.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 230 | H | 41.3 | Very low | 42.4 | Very low | 191 Ų | 191 | 131.5 Ų | 131.5 | 88% | 0.884 | 80% | 0.803 | S | S | * | * | trans | -162.5 | 165.3 | 142.3 | 62.9 | -88.8 | 0 | 0 | 0 | 112.6 | ||||
| 231 | L | 42 | Very low | 42.2 | Very low | 160 Ų | 160 | 134.6 Ų | 134.6 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | trans | -97.6 | 165.6 | -152 | -164 | 71.8 | 0 | 0 | 0 | 112.5 | ||||
| 232 | S | 35.7 | Very low | 41.1 | Very low | 85 Ų | 85 | 134 Ų | 134 | 59% | 0.594 | 80% | 0.804 | S | S | * | * | trans | 82.1 | 107.3 | 144 | 161.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 233 | Q | 35.3 | Very low | 41.2 | Very low | 190 Ų | 190 | 135.9 Ų | 135.9 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | -178.4 | 132 | 114 | -100.3 | 152.2 | 97.3 | 0 | 0 | 112.6 | |||||
| 234 | S | 39.3 | Very low | 41.1 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -115.9 | -179.5 | 161.7 | -68.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 235 | P | 59.6 | Low | 40.5 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | cis | -127.6 | 171.1 | -44 | 31.3 | -13.4 | 0 | 0 | 0 | 111.2 | ||||
| 236 | A | 35.9 | Very low | 40.8 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -145.5 | 125.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 237 | S | 42.5 | Very low | 40.7 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -102.3 | 137.6 | -178.6 | 42.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 238 | L | 36.4 | Very low | 40.3 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -146.3 | 102.8 | 163.5 | -79.2 | 166.1 | 0 | 0 | 0 | 106.6 | ||||
| 239 | S | 36.8 | Very low | 40 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | 81.5 | 111.7 | 80.9 | 71.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 240 | T | 40.6 | Very low | 39.5 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | -48.5 | 142 | 163.4 | 14.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 241 | Q | 40.7 | Very low | 39.5 | Very low | 175 Ų | 175 | 132.8 Ų | 132.8 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -144.9 | 126.7 | 146.8 | -85.2 | -167.5 | 44.2 | 0 | 0 | 110.5 | ||||
| 242 | S | 39 | Very low | 39.2 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 66% | 0.657 | 81% | 0.809 | S | S | * | * | trans | -82.8 | 153.3 | 167.9 | 71.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 243 | Y | 38.3 | Very low | 39.1 | Very low | 214 Ų | 214 | 131.6 Ų | 131.6 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | trans | -160.9 | 139.2 | 132.7 | -72.7 | -64.1 | 0 | 0 | 0 | 108.8 | ||||
| 244 | G | 38.3 | Very low | 39.5 | Very low | 80 Ų | 80 | 126.9 Ų | 126.9 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -93.7 | -179.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 245 | A | 36.7 | Very low | 39.5 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | -168.8 | 132.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 246 | S | 45.5 | Very low | 38.2 | Very low | 134 Ų | 134 | 129.1 Ų | 129.1 | 94% | 0.937 | 82% | 0.816 | S | S | * | * | trans | -71.7 | 144.4 | 170.7 | -49.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 247 | G | 35.7 | Very low | 38.6 | Very low | 76 Ų | 76 | 131.9 Ų | 131.9 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | trans | -170.3 | 121.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 248 | L | 40 | Very low | 38.3 | Very low | 185 Ų | 185 | 132.7 Ų | 132.7 | 97% | 0.969 | 81% | 0.81 | S | S | * | * | trans | -41.3 | 151.2 | 179.8 | -59.4 | 164 | 0 | 0 | 0 | 116.8 | ||||
| 249 | G | 37.5 | Very low | 38.5 | Very low | 77 Ų | 77 | 136 Ų | 136 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | -94.4 | -178 | -166.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 250 | F | 33.4 | Very low | 38.7 | Very low | 215 Ų | 215 | 138.3 Ų | 138.3 | 94% | 0.943 | 81% | 0.81 | S | S | * | * | trans | -167.2 | 158.3 | 143.9 | -151.6 | -103 | 0 | 0 | 0 | 108.8 | ||||
| 251 | N | 39.8 | Very low | 39.2 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | -83.3 | 159.7 | -164.2 | -168.2 | 2.4 | 0 | 0 | 0 | 113.9 | ||||
| 252 | S | 35.7 | Very low | 39 | Very low | 92 Ų | 92 | 138 Ų | 138 | 64% | 0.643 | 80% | 0.804 | S | S | * | * | trans | 80.7 | 128 | 158.6 | -57.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 253 | T | 34.7 | Very low | 39.1 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | cis | -167.7 | 150.5 | 30.5 | 37 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 254 | A | 42.6 | Very low | 39.3 | Very low | 91 Ų | 91 | 130.1 Ų | 130.1 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | 51 | 126.6 | 146.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 255 | D | 39.6 | Very low | 39.4 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | cis | -155.8 | 122.8 | 22.2 | -97.7 | -75.7 | 0 | 0 | 0 | 104.6 | ||||
| 256 | C | 33.1 | Very low | 39.8 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | -121.5 | 118.8 | 168 | -168.1 | 0 | 0 | 0 | 0 | 107.4 | D258 | C256-D258 PolarHBondContact O-N 3.39Š| ||
| 257 | L | 43.7 | Very low | 39.4 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | -53.2 | 102.1 | 172 | -79.2 | 157.9 | 0 | 0 | 0 | 109.3 | Y259 | L257-Y259 PolarHBondContact O-N 3.36Š| ||
| 258 | D | 35.6 | Very low | 40.1 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -59.5 | 94.4 | 168 | -176.4 | -134.9 | 0 | 0 | 0 | 108.4 | C256 K260 | C256-D258 PolarHBondContact O-N 3.39Å; D258-K260 PolarHBondContact O-N 3.38Å; D258-K260 WeakPolarHBondContact OD1-CB 3.37Å; D258-K260 WeakPolarHBondContact OD1-CD 3.23Å | ||
| 259 | Y | 41.8 | Very low | 39.8 | Very low | 233 Ų | 233 | 139.4 Ų | 139.4 | 91% | 0.914 | 76% | 0.759 | S | S | * | * | trans | -73.7 | 71.3 | 163.1 | -129 | -88.1 | 0 | 0 | 0 | 107.4 | L257 D261 | L257-Y259 PolarHBondContact O-N 3.36Å; Y259-D261 PolarHBondContact O-N 3.23Å | ||
| 260 | K | 40.6 | Very low | 40.1 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 65% | 0.648 | 76% | 0.761 | S | S | * | * | trans | -66.7 | 115.1 | 171.3 | -166.7 | 153.3 | 170.7 | 170 | 0 | 107.7 | D258 Q262 | D258-K260 PolarHBondContact O-N 3.38Å; D258-K260 WeakPolarHBondContact OD1-CB 3.37Å; D258-K260 WeakPolarHBondContact OD1-CD 3.23Å; K260-Q262 PolarHBondContact O-N 3.04Å | ||
| 261 | D | 50.6 | Low | 40.1 | Very low | 143 Ų | 143 | 140 Ų | 140 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | trans | -41.4 | 95.3 | 154.8 | -170.2 | -93.7 | 0 | 0 | 0 | 108.7 | Y259 A263 | Y259-D261 PolarHBondContact O-N 3.23Å; D261-A263 VanDerWaalsContact C-N 3.33Å | ||
| 262 | Q | 36.8 | Very low | 40.3 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | -100.3 | 77.9 | 167 | -159 | 168.7 | 88.7 | 0 | 0 | 104.1 | K260 A264 | K260-Q262 PolarHBondContact O-N 3.04Å; Q262-A264 PolarHBondContact O-N 2.8Å | ||
| 263 | A | 41.9 | Very low | 40.3 | Very low | 77 Ų | 77 | 139.9 Ų | 139.9 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | trans | -44.1 | 97.9 | 147.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | D261 S265 | D261-A263 VanDerWaalsContact C-N 3.33Å; A263-S265 PolarHBondContact O-N 2.89Å | ||
| 264 | A | 42.6 | Very low | 40.8 | Very low | 64 Ų | 64 | 139.6 Ų | 139.6 | 53% | 0.529 | 75% | 0.753 | S | S | . | * | trans | -67.1 | 78.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | Q262 W266 | Q262-A264 PolarHBondContact O-N 2.8Å; A264-W266 PolarHBondContact O-N 2.86Å | ||
| 265 | S | 40 | Very low | 40.8 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | trans | -61.2 | 88 | 161.1 | -173.8 | 0 | 0 | 0 | 0 | 104.7 | A263 K267 | A263-S265 PolarHBondContact O-N 2.89Å; S265-K267 PolarHBondContact O-N 2.92Å | ||
| 266 | W | 44.8 | Very low | 41 | Very low | 222 Ų | 222 | 140.3 Ų | 140.3 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | trans | -63 | 81.4 | 162.6 | -63.6 | 94.6 | 0 | 0 | 0 | 105.7 | A264 L268 | A264-W266 PolarHBondContact O-N 2.86Å; W266-L268 PolarHBondContact O-N 2.79Å | ||
| 267 | K | 37.8 | Very low | 41.2 | Very low | 189 Ų | 189 | 144.3 Ų | 144.3 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | trans | -56.4 | 103.7 | 175.3 | -161.3 | 170.5 | 176.5 | 173.2 | 0 | 105.1 | S265 N269 | S265-K267 PolarHBondContact O-N 2.92Å; K267-N269 PolarHBondContact O-N 2.87Å | ||
| 268 | L | 49.2 | Very low | 41.2 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 66% | 0.66 | 73% | 0.734 | S | S | * | * | trans | -63.3 | 92 | 175.8 | -68 | 179 | 0 | 0 | 0 | 107.1 | W266 F270 | W266-L268 PolarHBondContact O-N 2.79Å; L268-F270 HydrophobicContact CB-CD2 4.41Å; L268-F270 HydrophobicContact CB-CE2 4.3Å; L268-F270 PolarHBondContact O-N 2.87Å; L268-F270 VanDerWaalsContact O-N 3.08Å | ||
| 269 | N | 35.3 | Very low | 41.9 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 72% | 0.717 | 73% | 0.733 | S | S | * | * | trans | -75.7 | 95.5 | 170.6 | -160.8 | -14.2 | 0 | 0 | 0 | 106.7 | K267 N271 | K267-N269 PolarHBondContact O-N 2.87Å; N269-N271 PolarHBondContact O-N 3.25Å | ||
| 270 | F | 43.8 | Very low | 41.7 | Very low | 187 Ų | 187 | 139.4 Ų | 139.4 | 82% | 0.82 | 72% | 0.721 | S | S | * | * | trans | -70.2 | 85 | 163.2 | -80.5 | -87.7 | 0 | 0 | 0 | 107.5 | L268 | L268-F270 HydrophobicContact CB-CD2 4.41Å; L268-F270 HydrophobicContact CB-CE2 4.3Å; L268-F270 PolarHBondContact O-N 2.87Å; L268-F270 VanDerWaalsContact O-N 3.08Å | ||
| 271 | N | 31.7 | Very low | 42.1 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 63% | 0.631 | 72% | 0.721 | S | S | * | * | trans | -92.3 | 101.8 | 161.3 | -128.6 | -91.6 | 0 | 0 | 0 | 107.6 | N269 D273 | N269-N271 PolarHBondContact O-N 3.25Å; N271-D273 VanDerWaalsContact C-N 3.33Å; N271-D273 PolarHBondContact O-N 2.63Å; N271-D273 VanDerWaalsContact O-N 3.17Å | ||
| 272 | A | 45.1 | Very low | 41.6 | Very low | 96 Ų | 96 | 134.3 Ų | 134.3 | 79% | 0.793 | 71% | 0.71 | S | S | * | * | trans | -76.5 | 86 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 273 | D | 35.7 | Very low | 41.8 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 66% | 0.663 | 71% | 0.708 | S | S | * | * | trans | -128.4 | 98.9 | 164.6 | -104.8 | -65.3 | 0 | 0 | 0 | 109.9 | N271 L275 | N271-D273 VanDerWaalsContact C-N 3.33Å; N271-D273 PolarHBondContact O-N 2.63Å; N271-D273 VanDerWaalsContact O-N 3.17Å; D273-L275 PolarHBondContact O-N 3.26Å | ||
| 274 | C | 45.5 | Very low | 41.7 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 84% | 0.838 | 72% | 0.722 | S | S | * | * | trans | -77.5 | 98.9 | 164.8 | 166.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 275 | L | 42.4 | Very low | 42 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | -140.1 | 105.2 | 165.1 | -79.4 | 176.4 | 0 | 0 | 0 | 111.8 | D273 | D273-L275 PolarHBondContact O-N 3.26Š| ||
| 276 | D | 43.2 | Very low | 42.1 | Very low | 125 Ų | 125 | 148.3 Ų | 148.3 | 67% | 0.668 | 74% | 0.737 | S | S | * | * | 42.4 | 89.3 | 125.4 | -149.4 | -106.7 | 0 | 0 | 0 | 116.9 | K278 | D276-K278 WeakPolarHBondContact OD1-CB 3.42Š| |||
| 277 | Y | 37.2 | Very low | 42 | Very low | 209 Ų | 209 | 145.2 Ų | 145.2 | 82% | 0.82 | 73% | 0.731 | S | S | * | * | trans | -107.2 | 80.6 | 153.3 | -142.7 | -86.3 | 0 | 0 | 0 | 109.5 | ||||
| 278 | K | 44.1 | Very low | 42.3 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 70% | 0.704 | 73% | 0.729 | S | S | * | * | trans | -63.2 | 127.3 | 166.3 | -179.2 | 168.8 | 155.1 | -175.5 | 0 | 109.8 | D276 | D276-K278 WeakPolarHBondContact OD1-CB 3.42Š| ||
| 279 | D | 49.2 | Very low | 42.3 | Very low | 125 Ų | 125 | 147.4 Ų | 147.4 | 67% | 0.668 | 76% | 0.756 | S | S | * | * | trans | 53 | 93.5 | 144.9 | -136 | -107.1 | 0 | 0 | 0 | 118.6 | T281 | D279-T281 WeakPolarHBondContact OD1-CG2 3.45Š| ||
| 280 | Q | 38.8 | Very low | 42.7 | Very low | 140 Ų | 140 | 148.1 Ų | 148.1 | 65% | 0.654 | 76% | 0.758 | S | S | * | * | trans | -122.6 | 72.3 | 155.3 | -161.8 | 85.2 | 67.3 | 0 | 0 | 108.6 | S282 | Q280-S282 VanDerWaalsContact C-N 3.34Å; Q280-S282 PolarHBondContact NE2-OG 3.43Å; Q280-S282 PolarHBondContact O-N 3.12Å; Q280-S282 VanDerWaalsContact O-N 3.12Å | ||
| 281 | T | 48.7 | Very low | 42.6 | Very low | 108 Ų | 108 | 146.1 Ų | 146.1 | 66% | 0.663 | 76% | 0.755 | S | S | * | * | trans | -66.4 | 99.1 | 154.8 | 131.4 | 0 | 0 | 0 | 0 | 106.8 | D279 | D279-T281 WeakPolarHBondContact OD1-CG2 3.45Š| ||
| 282 | S | 40.4 | Very low | 43.3 | Very low | 76 Ų | 76 | 147.6 Ų | 147.6 | 53% | 0.531 | 76% | 0.761 | S | S | . | * | trans | -130 | 81.2 | 168.6 | -63.8 | 0 | 0 | 0 | 0 | 108.6 | Q280 | Q280-S282 VanDerWaalsContact C-N 3.34Å; Q280-S282 PolarHBondContact NE2-OG 3.43Å; Q280-S282 PolarHBondContact O-N 3.12Å; Q280-S282 VanDerWaalsContact O-N 3.12Å | ||
| 283 | S | 40.4 | Very low | 43.1 | Very low | 105 Ų | 105 | 150.6 Ų | 150.6 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | 28.3 | 93.5 | 143.4 | -174.2 | 0 | 0 | 0 | 0 | 117 | K285 | S283-K285 VanDerWaalsContact C-N 3.29Å; S283-K285 PolarHBondContact O-N 3.39Å | ||
| 284 | W | 40.7 | Very low | 43.6 | Very low | 243 Ų | 243 | 152.3 Ų | 152.3 | 92% | 0.92 | 77% | 0.766 | S | S | * | * | trans | -68.6 | 86.3 | 159.3 | -64.5 | 94 | 0 | 0 | 0 | 109.3 | F286 | W284-F286 PolarHBondContact O-N 3.34Š| ||
| 285 | K | 47.6 | Very low | 43.5 | Very low | 173 Ų | 173 | 154.2 Ų | 154.2 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | -82.4 | 100.5 | 170.7 | -164.8 | 176.5 | 177.4 | 179.7 | 0 | 108.2 | S283 Q287 | S283-K285 VanDerWaalsContact C-N 3.29Å; S283-K285 PolarHBondContact O-N 3.39Å; K285-Q287 PolarHBondContact O-N 3.35Å | ||
| 286 | F | 43.1 | Very low | 43.6 | Very low | 184 Ų | 184 | 154.9 Ų | 154.9 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | trans | -68.4 | 117.2 | 169 | -106.7 | -96 | 0 | 0 | 0 | 108.9 | W284 | W284-F286 PolarHBondContact O-N 3.34Š| ||
| 287 | Q | 42.6 | Very low | 43.6 | Very low | 156 Ų | 156 | 157.2 Ų | 157.2 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | trans | -101.4 | 111 | 165.9 | -165.1 | 100.8 | 7 | 0 | 0 | 106.5 | K285 | K285-Q287 PolarHBondContact O-N 3.35Š| ||
| 288 | V | 44.2 | Very low | 44.1 | Very low | 127 Ų | 127 | 152.8 Ų | 152.8 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -87.3 | 125.1 | 170.7 | 175.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 289 | L | 49.8 | Very low | 44.1 | Very low | 235 Ų | 235 | 152 Ų | 152 | 100% | 1.23 | 77% | 0.769 | S | S | * | * | trans | -97.5 | 0 | 161.6 | -90.2 | 135 | 0 | 0 | 0 | 108.2 |
Retrieved 289 of 289 residues in 287.9 ms
(Link to these results)